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1-Methyldecalin, cis structure
Fine Chemical

1-Methyldecalin, cis

TL;DR: 1-Methyldecalin, cis (CAS 1417411-82-5) is a chemical compound with molecular formula C11H20 and molecular weight 152.1565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(4aR,8aS)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

Also Known As: 1-Methyldecalin, cis, 2-Methyldecalin, cis, NAPHTHALENE, DECAHYDROMETHYL-, rel-(4aR,8aS)-Decahydro-1-methylnaphthalene, (4aR,8aS)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

CAS Number
1417411-82-5
Molecular Formula
C11H20
Molecular Weight
152.1565 g/mol
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Technical Specifications

Molecular FormulaC11H20
Molecular Weight152.1565 g/mol
XLogP4.9
Topological Polar Surface Area (TPSA)0.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors0
Rotatable Bonds0
Exact Mass152.1565 Da
Heavy Atoms11
Complexity128.0
SMILESCC1CCC[C@@H]2[C@H]1CCCC2
InChIKeyNHCREQREVZBOCH-ZOCYIJKUSA-N

Chemical Property Profile of 1-Methyldecalin, cis

XLogP
4.9
TPSA (Topological Polar Surface Area)
0.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
Rotatable Bonds
0
Heavy Atoms
11
Complexity
128.0
Exact Mass
152.1565
Monoisotopic Mass
152.1565
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 1-Methyldecalin, cis

The XLogP value of 4.9 indicates that 1-Methyldecalin, cis is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Methyldecalin, cis exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyldecalin, cis has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 1-Methyldecalin, cis?

The CAS number of 1-Methyldecalin, cis is 1417411-82-5.

What is the molecular formula of 1-Methyldecalin, cis?

The molecular formula of 1-Methyldecalin, cis is C11H20.

What is the molecular weight of 1-Methyldecalin, cis?

The molecular weight of 1-Methyldecalin, cis is 152.1565 g/mol.

Where can I buy 1-Methyldecalin, cis?

You can request a quote for 1-Methyldecalin, cis directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1-Methyldecalin, cis?

Yes, CoreyChem provides custom synthesis services for 1-Methyldecalin, cis and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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