Heptenenitrile, 3,6-dimethyl-
TL;DR: Heptenenitrile, 3,6-dimethyl- (CAS 71097-32-0) is a chemical compound with molecular formula C9H15N and molecular weight 137.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dimethylhept-5-enenitrile
Also Known As: 3,6-dimethylhept-5-enenitrile, Heptenenitrile, 3,6-dimethyl-, 3,6-Dimethylheptenonitrile, 3,6-Dimethylheptene-1-nitrile, Heptenenitrile,3,6-dimethyl-
| Molecular Formula | C9H15N |
|---|---|
| Molecular Weight | 137.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 137.12045 |
| Heavy Atoms | 10 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 71097-32-0 |
|---|---|
| SMILES | CC(CC=C(C)C)CC#N |
| InChIKey | CNHQFRKBIXKKSV-UHFFFAOYSA-N |
Product Overview
Heptenenitrile, 3,6-dimethyl- (CAS 71097-32-0), with molecular formula C9H15N and molecular weight 137.12 g/mol. IUPAC: 3,6-dimethylhept-5-enenitrile.
Chemical Property Profile of Heptenenitrile, 3,6-dimethyl-
Property Insights of Heptenenitrile, 3,6-dimethyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptenenitrile, 3,6-dimethyl-. With a topological polar surface area (TPSA) of 23.8 Ų, Heptenenitrile, 3,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptenenitrile, 3,6-dimethyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heptenenitrile, 3,6-dimethyl-?
The CAS number of Heptenenitrile, 3,6-dimethyl- is 71097-32-0.
What is the molecular formula of Heptenenitrile, 3,6-dimethyl-?
The molecular formula of Heptenenitrile, 3,6-dimethyl- is C9H15N.
What is the molecular weight of Heptenenitrile, 3,6-dimethyl-?
The molecular weight of Heptenenitrile, 3,6-dimethyl- is 137.12 g/mol.
Where can I buy Heptenenitrile, 3,6-dimethyl-?
You can request a quote for Heptenenitrile, 3,6-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptenenitrile, 3,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Heptenenitrile, 3,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.