[(E)-2-(diethoxymethyl)oct-1-enyl]benzene

C19H30O2 — CID 6437149

IUPAC[(E)-2-(diethoxymethyl)oct-1-enyl]benzene
SMILESCCCCCC/C(=C\c1ccccc1)C(OCC)OCC
InChIInChI=1S/C19H30O2/c1-4-7-8-12-15-18(19(20-5-2)21-6-3)16-17-13-10-9-11-14-17/h9-11,13-14,16,19H,4-8,12,15H2,1-3H3/b18-16+
InChIKeyQOUAYQKASAQPJF-FBMGVBCBSA-N
MW290.45 g/mol
LogP5.44
Rot. Bonds11

About [(E)-2-(diethoxymethyl)oct-1-enyl]benzene

[(E)-2-(diethoxymethyl)oct-1-enyl]benzene (PubChem CID 6437149) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is [(E)-2-(diethoxymethyl)oct-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-2-(diethoxymethyl)oct-1-enyl]benzene
PubChem CID6437149
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name[(E)-2-(diethoxymethyl)oct-1-enyl]benzene
SMILESCCCCCC/C(=C\c1ccccc1)C(OCC)OCC
InChIInChI=1S/C19H30O2/c1-4-7-8-12-15-18(19(20-5-2)21-6-3)16-17-13-10-9-11-14-17/h9-11,13-14,16,19H,4-8,12,15H2,1-3H3/b18-16+
InChIKeyQOUAYQKASAQPJF-FBMGVBCBSA-N
XLogP5.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.44
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'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-(diethoxymethyl)oct-1-enyl]benzene?
The IUPAC name of [(E)-2-(diethoxymethyl)oct-1-enyl]benzene (CID 6437149) is [(E)-2-(diethoxymethyl)oct-1-enyl]benzene.
What is the SMILES notation for [(E)-2-(diethoxymethyl)oct-1-enyl]benzene?
The canonical SMILES for [(E)-2-(diethoxymethyl)oct-1-enyl]benzene is CCCCCC/C(=C\c1ccccc1)C(OCC)OCC.
What is the InChIKey of [(E)-2-(diethoxymethyl)oct-1-enyl]benzene?
The InChIKey is QOUAYQKASAQPJF-FBMGVBCBSA-N. The full InChI is InChI=1S/C19H30O2/c1-4-7-8-12-15-18(19(20-5-2)21-6-3)16-17-13-10-9-11-14-17/h9-11,13-14,16,19H,4-8,12,15H2,1-3H3/b18-16+.
What are the key properties of [(E)-2-(diethoxymethyl)oct-1-enyl]benzene?
[(E)-2-(diethoxymethyl)oct-1-enyl]benzene has a molecular weight of 290.45 g/mol, XLogP of 5.44, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(diethoxymethyl)oct-1-enyl]benzene is sourced from PubChem (CID 6437149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).