(E)-14-methylhexadec-8-enal

C17H32O — CID 6073809

IUPAC(E)-14-methylhexadec-8-enal
SMILESCCC(C)CCCC/C=C/CCCCCCC=O
InChIInChI=1S/C17H32O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h5,7,16-17H,3-4,6,8-15H2,1-2H3/b7-5+
InChIKeyHSGUJTMCFWXGAP-FNORWQNLSA-N
MW252.44 g/mol
LogP5.69
Rot. Bonds13

About (E)-14-methylhexadec-8-enal

(E)-14-methylhexadec-8-enal (PubChem CID 6073809) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is (E)-14-methylhexadec-8-enal.

Molecular Properties

Compound Name(E)-14-methylhexadec-8-enal
PubChem CID6073809
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name(E)-14-methylhexadec-8-enal
SMILESCCC(C)CCCC/C=C/CCCCCCC=O
InChIInChI=1S/C17H32O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h5,7,16-17H,3-4,6,8-15H2,1-2H3/b7-5+
InChIKeyHSGUJTMCFWXGAP-FNORWQNLSA-N
XLogP5.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

alumane;5-methylheptanal
CID 175597367
(Z)-16-methyloctadec-10-en-2-amine
CID 170891715
(Z)-1-bromo-11-methyltridec-5-ene
CID 11108579
(E,14R)-1,1-dimethoxy-14-methylhexadec-8-ene
CID 6450378
(16S)-16-methyloctadeca-5,9-dienoic acid
CID 162859481
(Z)-12-methyltetradec-3-enenitrile
CID 139591509
(Z)-1,1-diethoxy-14-methylhexadec-8-ene
CID 20841393
(E,14R)-1,1-diethoxy-14-methylhexadec-8-ene
CID 6450379
(Z)-3-methylheptadec-6-ene
CID 159647190
(Z,14S)-14-methylhexadec-9-enoic acid
CID 163004277
methyl (Z,14R)-14-methylhexadec-7-enoate
CID 170988097
(E)-13-methyltetracos-6-ene
CID 173194183

Frequently Asked Questions

What is the IUPAC name of (E)-14-methylhexadec-8-enal?
The IUPAC name of (E)-14-methylhexadec-8-enal (CID 6073809) is (E)-14-methylhexadec-8-enal.
What is the SMILES notation for (E)-14-methylhexadec-8-enal?
The canonical SMILES for (E)-14-methylhexadec-8-enal is CCC(C)CCCC/C=C/CCCCCCC=O.
What is the InChIKey of (E)-14-methylhexadec-8-enal?
The InChIKey is HSGUJTMCFWXGAP-FNORWQNLSA-N. The full InChI is InChI=1S/C17H32O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h5,7,16-17H,3-4,6,8-15H2,1-2H3/b7-5+.
What are the key properties of (E)-14-methylhexadec-8-enal?
(E)-14-methylhexadec-8-enal has a molecular weight of 252.44 g/mol, XLogP of 5.69, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-14-methylhexadec-8-enal is sourced from PubChem (CID 6073809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).