2-methoxy-6-[(E)-pentadec-8-enyl]benzaldehyde

C23H36O2 — CID 57423741

IUPAC2-methoxy-6-[(E)-pentadec-8-enyl]benzaldehyde
SMILESCCCCCC/C=C/CCCCCCCc1cccc(OC)c1C=O
InChIInChI=1S/C23H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-19-23(25-2)22(21)20-24/h8-9,16,18-20H,3-7,10-15,17H2,1-2H3/b9-8+
InChIKeyKSWZUSJCBHLONI-CMDGGOBGSA-N
MW344.54 g/mol
LogP6.92
Rot. Bonds15

About 2-methoxy-6-[(E)-pentadec-8-enyl]benzaldehyde

2-methoxy-6-[(E)-pentadec-8-enyl]benzaldehyde (PubChem CID 57423741) has the molecular formula C23H36O2 and a molecular weight of 344.54 g/mol. Its IUPAC name is 2-methoxy-6-[(E)-pentadec-8-enyl]benzaldehyde.

Molecular Properties

Compound Name2-methoxy-6-[(E)-pentadec-8-enyl]benzaldehyde
PubChem CID57423741
Molecular FormulaC23H36O2
Molecular Weight344.54 g/mol
Exact Mass344.27
IUPAC Name2-methoxy-6-[(E)-pentadec-8-enyl]benzaldehyde
SMILESCCCCCC/C=C/CCCCCCCc1cccc(OC)c1C=O
InChIInChI=1S/C23H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-19-23(25-2)22(21)20-24/h8-9,16,18-20H,3-7,10-15,17H2,1-2H3/b9-8+
InChIKeyKSWZUSJCBHLONI-CMDGGOBGSA-N
XLogP6.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methoxy-6-[(E)-pentadec-8-enyl]benzaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

2-methoxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzaldehyde
CID 10664895
2-hexyl-6-hydroxybenzaldehyde
CID 19389412
1-methoxy-2-(2-methoxy-6-octylphenyl)-3-octylbenzene
CID 15849833
1-methoxy-2-tetradecylbenzene
CID 69169530
2-heptadecyl-6-methoxyphenol
CID 10713705
(2-heptylphenyl) formate
CID 141284661
methyl 2-acetyloxy-6-[(Z)-pentadec-8-enyl]benzoate
CID 44575479
2-decyl-6-methoxybenzoic acid
CID 20757679
1-[(E)-pentadec-7-enyl]naphthalene
CID 101307533
1-[(E)-heptadec-10-enyl]naphthalene
CID 101307596
1-[(E)-icos-9-enyl]naphthalene
CID 101307696
1,3-didecyl-2-ethenylbenzene
CID 10572118

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(E)-pentadec-8-enyl]benzaldehyde?
The IUPAC name of 2-methoxy-6-[(E)-pentadec-8-enyl]benzaldehyde (CID 57423741) is 2-methoxy-6-[(E)-pentadec-8-enyl]benzaldehyde.
What is the SMILES notation for 2-methoxy-6-[(E)-pentadec-8-enyl]benzaldehyde?
The canonical SMILES for 2-methoxy-6-[(E)-pentadec-8-enyl]benzaldehyde is CCCCCC/C=C/CCCCCCCc1cccc(OC)c1C=O.
What is the InChIKey of 2-methoxy-6-[(E)-pentadec-8-enyl]benzaldehyde?
The InChIKey is KSWZUSJCBHLONI-CMDGGOBGSA-N. The full InChI is InChI=1S/C23H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-19-23(25-2)22(21)20-24/h8-9,16,18-20H,3-7,10-15,17H2,1-2H3/b9-8+.
What are the key properties of 2-methoxy-6-[(E)-pentadec-8-enyl]benzaldehyde?
2-methoxy-6-[(E)-pentadec-8-enyl]benzaldehyde has a molecular weight of 344.54 g/mol, XLogP of 6.92, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(E)-pentadec-8-enyl]benzaldehyde is sourced from PubChem (CID 57423741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).