![[2-(Dimethoxymethyl)-1-heptenyl]benzene structure](/static/products/9187/91-87-2.webp)
[2-(Dimethoxymethyl)-1-heptenyl]benzene
TL;DR: [2-(Dimethoxymethyl)-1-heptenyl]benzene (CAS 91-87-2) is a chemical compound with molecular formula C16H24O2 and molecular weight 248.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethoxymethyl)hept-1-enylbenzene
Also Known As: cinnamaldehyde, 2-(dimethoxymethyl)hept-1-enylbenzene, [2-(Dimethoxymethyl)-1-heptenyl]benzene, Amylcinnamaldehyde dimethyl acetal, a-Amylcinnamaldehyde dimethyl acetal
| Molecular Formula | C16H24O2 |
|---|---|
| Molecular Weight | 248.18 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 248.17763 |
| Heavy Atoms | 18 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 91-87-2 |
|---|---|
| SMILES | CCCCCC(=CC1=CC=CC=C1)C(OC)OC |
| InChIKey | QCHZKUPVENJLAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[2-(Dimethoxymethyl)-1-heptenyl]benzene (CAS 91-87-2), with molecular formula C16H24O2 and molecular weight 248.18 g/mol. IUPAC: 2-(dimethoxymethyl)hept-1-enylbenzene.
Chemical Property Profile of [2-(Dimethoxymethyl)-1-heptenyl]benzene
Property Insights of [2-(Dimethoxymethyl)-1-heptenyl]benzene
The XLogP value of 4.9 indicates that [2-(Dimethoxymethyl)-1-heptenyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, [2-(Dimethoxymethyl)-1-heptenyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(Dimethoxymethyl)-1-heptenyl]benzene has 0 hydrogen bond donor(s) and 2 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 [2-(Dimethoxymethyl)-1-heptenyl]benzene?
The CAS number of [2-(Dimethoxymethyl)-1-heptenyl]benzene is 91-87-2.
What is the molecular formula of [2-(Dimethoxymethyl)-1-heptenyl]benzene?
The molecular formula of [2-(Dimethoxymethyl)-1-heptenyl]benzene is C16H24O2.
What is the molecular weight of [2-(Dimethoxymethyl)-1-heptenyl]benzene?
The molecular weight of [2-(Dimethoxymethyl)-1-heptenyl]benzene is 248.18 g/mol.
Where can I buy [2-(Dimethoxymethyl)-1-heptenyl]benzene?
You can request a quote for [2-(Dimethoxymethyl)-1-heptenyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(Dimethoxymethyl)-1-heptenyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for [2-(Dimethoxymethyl)-1-heptenyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.