2-methoxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzaldehyde

C23H32O2 — CID 10664895

IUPAC2-methoxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzaldehyde
SMILESC=CC/C=C\C/C=C\CCCCCCCc1cccc(OC)c1C=O
InChIInChI=1S/C23H32O2/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/h3,5-6,8-9,16,18-20H,1,4,7,10-15,17H2,2H3/b6-5-,9-8-
InChIKeyHTYFDAAIOGXONT-AFJQJTPPSA-N
MW340.51 g/mol
LogP6.47
Rot. Bonds14

About 2-methoxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzaldehyde

2-methoxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzaldehyde (PubChem CID 10664895) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-methoxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzaldehyde.

Molecular Properties

Compound Name2-methoxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzaldehyde
PubChem CID10664895
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name2-methoxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzaldehyde
SMILESC=CC/C=C\C/C=C\CCCCCCCc1cccc(OC)c1C=O
InChIInChI=1S/C23H32O2/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/h3,5-6,8-9,16,18-20H,1,4,7,10-15,17H2,2H3/b6-5-,9-8-
InChIKeyHTYFDAAIOGXONT-AFJQJTPPSA-N
XLogP6.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.47
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'}

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Related Compounds

2-methoxy-6-[(E)-pentadec-8-enyl]benzaldehyde
CID 57423741
3-[(8E,11E)-pentadeca-8,11-dienyl]benzene-1,2-diol;3-[(8E,11E)-pentadeca-8,11,14-trienyl]benzene-1,2-diol;3-[(E)-pentadec-8-enyl]benzene-1,2-diol
CID 5478165
1-methyl-3-[(8E,11E)-pentadeca-8,11,14-trienyl]benzene
CID 142383088
4-(2-fluoro-3-methoxyphenyl)butanal
CID 104795063
2-ethenyl-3-methoxybenzaldehyde
CID 10487197
2-ethyl-6-(methoxymethoxy)benzaldehyde
CID 59509177
2-hexyl-6-hydroxybenzaldehyde
CID 19389412
3-[(7E,10E)-pentadeca-7,10-dienyl]benzene-1,2-diol
CID 6446932
1,3-didecyl-2-ethenylbenzene
CID 10572118
2-[(9Z,12Z)-octadeca-9,12-dienyl]benzenesulfonamide
CID 175087049
1-methoxy-2-(2-methoxy-6-octylphenyl)-3-octylbenzene
CID 15849833
2-formyl-3-methoxybenzonitrile
CID 122401577

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzaldehyde?
The IUPAC name of 2-methoxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzaldehyde (CID 10664895) is 2-methoxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzaldehyde.
What is the SMILES notation for 2-methoxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzaldehyde?
The canonical SMILES for 2-methoxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzaldehyde is C=CC/C=C\C/C=C\CCCCCCCc1cccc(OC)c1C=O.
What is the InChIKey of 2-methoxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzaldehyde?
The InChIKey is HTYFDAAIOGXONT-AFJQJTPPSA-N. The full InChI is InChI=1S/C23H32O2/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/h3,5-6,8-9,16,18-20H,1,4,7,10-15,17H2,2H3/b6-5-,9-8-.
What are the key properties of 2-methoxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzaldehyde?
2-methoxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzaldehyde has a molecular weight of 340.51 g/mol, XLogP of 6.47, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzaldehyde is sourced from PubChem (CID 10664895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).