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Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]- structure
Fine Chemical

Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]-

TL;DR: Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]- (CAS 158721-91-6) is a chemical compound with molecular formula C15H26O3 and molecular weight 254.1882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-(3-tert-butylperoxy-3-methylbut-1-ynyl)cyclohexan-1-ol

Also Known As: Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]-, 1-[3-(tert-butylperoxy)-3-methylbut-1-yn-1-yl]cyclohexanol, 1-(3-methyl-3-tert-butylperoxy-but-1-ynyl)cyclohexan-1-ol, 1-(3-tert-butylperoxy-3-methylbut-1-ynyl)cyclohexan-1-ol, 1-(3-(tert-Butylperoxy)-3-methylbut-1-yn-1-yl)cyclohexanol

CAS Number
158721-91-6
Molecular Formula
C15H26O3
Molecular Weight
254.1882 g/mol
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Technical Specifications

Molecular FormulaC15H26O3
Molecular Weight254.1882 g/mol
XLogP2.7
Topological Polar Surface Area (TPSA)38.7 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors3
Rotatable Bonds5
Exact Mass254.1882 Da
Heavy Atoms18
Complexity332.0
SMILESCC(C)(C)OOC(C)(C)C#CC1(CCCCC1)O
InChIKeyKZUDCCMVSPPPHP-UHFFFAOYSA-N

Chemical Property Profile of Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]-

XLogP
2.7
TPSA (Topological Polar Surface Area)
38.7
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
Rotatable Bonds
5
Heavy Atoms
18
Complexity
332.0
Exact Mass
254.1882
Monoisotopic Mass
254.1882
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]-

The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]-. With a topological polar surface area (TPSA) of 38.7 Ų, Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]-?

The CAS number of Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]- is 158721-91-6.

What is the molecular formula of Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]-?

The molecular formula of Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]- is C15H26O3.

What is the molecular weight of Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]-?

The molecular weight of Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]- is 254.1882 g/mol.

Where can I buy Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]-?

You can request a quote for Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]-?

Yes, CoreyChem provides custom synthesis services for Cyclohexanol, 1-[3-[(1,1-dimethylethyl)dioxy]-3-methyl-1-butynyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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