(E)-1,1-diethoxyhexadec-7-ene

C20H40O2 — CID 6450382

IUPAC(E)-1,1-diethoxyhexadec-7-ene
SMILESCCCCCCCC/C=C/CCCCCC(OCC)OCC
InChIInChI=1S/C20H40O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21-5-2)22-6-3/h13-14,20H,4-12,15-19H2,1-3H3/b14-13+
InChIKeyVOJBKJKGAHHPBF-BUHFOSPRSA-N
MW312.54 g/mol
LogP6.64
Rot. Bonds17

About (E)-1,1-diethoxyhexadec-7-ene

(E)-1,1-diethoxyhexadec-7-ene (PubChem CID 6450382) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is (E)-1,1-diethoxyhexadec-7-ene.

Molecular Properties

Compound Name(E)-1,1-diethoxyhexadec-7-ene
PubChem CID6450382
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name(E)-1,1-diethoxyhexadec-7-ene
SMILESCCCCCCCC/C=C/CCCCCC(OCC)OCC
InChIInChI=1S/C20H40O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21-5-2)22-6-3/h13-14,20H,4-12,15-19H2,1-3H3/b14-13+
InChIKeyVOJBKJKGAHHPBF-BUHFOSPRSA-N
XLogP6.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-1,1-diethoxyhexadec-7-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1,1-diethoxyhexadec-7-ene?
The IUPAC name of (E)-1,1-diethoxyhexadec-7-ene (CID 6450382) is (E)-1,1-diethoxyhexadec-7-ene.
What is the SMILES notation for (E)-1,1-diethoxyhexadec-7-ene?
The canonical SMILES for (E)-1,1-diethoxyhexadec-7-ene is CCCCCCCC/C=C/CCCCCC(OCC)OCC.
What is the InChIKey of (E)-1,1-diethoxyhexadec-7-ene?
The InChIKey is VOJBKJKGAHHPBF-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H40O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21-5-2)22-6-3/h13-14,20H,4-12,15-19H2,1-3H3/b14-13+.
What are the key properties of (E)-1,1-diethoxyhexadec-7-ene?
(E)-1,1-diethoxyhexadec-7-ene has a molecular weight of 312.54 g/mol, XLogP of 6.64, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-diethoxyhexadec-7-ene is sourced from PubChem (CID 6450382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).