1,4-Pentadiene, 3-propyl-
TL;DR: 1,4-Pentadiene, 3-propyl- (CAS 996-83-8) is a chemical compound with molecular formula C8H14 and molecular weight 110.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethenylhex-1-ene
Also Known As: 3-ethenylhex-1-ene, 3-Propyl-1,4-pentadiene, 1,4-Pentadiene, 3-propyl-, 3-Propyl-1,4-pentadiene #, RefChem:221028
| Molecular Formula | C8H14 |
|---|---|
| Molecular Weight | 110.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 110.10955 |
| Heavy Atoms | 8 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 996-83-8 |
|---|---|
| SMILES | CCCC(C=C)C=C |
| InChIKey | CTKMVHNUVMUYCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Pentadiene, 3-propyl- (CAS 996-83-8), with molecular formula C8H14 and molecular weight 110.11 g/mol. IUPAC: 3-ethenylhex-1-ene.
Chemical Property Profile of 1,4-Pentadiene, 3-propyl-
Property Insights of 1,4-Pentadiene, 3-propyl-
The XLogP value of 3.6 indicates that 1,4-Pentadiene, 3-propyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Pentadiene, 3-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Pentadiene, 3-propyl- 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
Frequently Asked Questions
What is the CAS number of 1,4-Pentadiene, 3-propyl-?
The CAS number of 1,4-Pentadiene, 3-propyl- is 996-83-8.
What is the molecular formula of 1,4-Pentadiene, 3-propyl-?
The molecular formula of 1,4-Pentadiene, 3-propyl- is C8H14.
What is the molecular weight of 1,4-Pentadiene, 3-propyl-?
The molecular weight of 1,4-Pentadiene, 3-propyl- is 110.11 g/mol.
Where can I buy 1,4-Pentadiene, 3-propyl-?
You can request a quote for 1,4-Pentadiene, 3-propyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Pentadiene, 3-propyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Pentadiene, 3-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.