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1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)- structure
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1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)-

TL;DR: 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)- (CAS 121951-00-6) is a chemical compound with molecular formula C10H16 and molecular weight 136.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2,6-dimethylocta-1,3,5-triene

Also Known As: 2,6-dimethyloctatriene, 2,6-dimethylocta-1,3,5-triene, 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)-, 1,3,5-Octatriene,2,6-dimethyl-,(3Z,5E)

CAS Number
121951-00-6
Molecular Formula
C10H16
Molecular Weight
136.1252 g/mol
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Application Areas

Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.

Organic Building Blocks (2 patents) Polymer Intermediates (1 patents)

Technical Specifications

Molecular FormulaC10H16
Molecular Weight136.1252 g/mol
XLogP4.4
Topological Polar Surface Area (TPSA)0.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors0
Rotatable Bonds3
Exact Mass136.1252 Da
Heavy Atoms10
Complexity159.0
SMILESCCC(=CC=CC(=C)C)C
InChIKeyNVQRIRLJPCDULK-UHFFFAOYSA-N

Chemical Property Profile of 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)-

XLogP
4.4
TPSA (Topological Polar Surface Area)
0.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
Rotatable Bonds
3
Heavy Atoms
10
Complexity
159.0
Exact Mass
136.1252
Monoisotopic Mass
136.1252
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 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)-

The XLogP value of 4.4 indicates that 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)- 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 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)-?

The CAS number of 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)- is 121951-00-6.

What is the molecular formula of 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)-?

The molecular formula of 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)- is C10H16.

What is the molecular weight of 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)-?

The molecular weight of 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)- is 136.1252 g/mol.

Where can I buy 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)-?

You can request a quote for 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)-?

Yes, CoreyChem provides custom synthesis services for 1,3,5-Octatriene, 2,6-dimethyl-, (3Z,5E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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