(Z)-hexadec-9-en-8-one

C16H30O — CID 134907163

IUPAC(Z)-hexadec-9-en-8-one
SMILESCCCCCC/C=C\C(=O)CCCCCCC
InChIInChI=1S/C16H30O/c1-3-5-7-9-11-13-15-16(17)14-12-10-8-6-4-2/h13,15H,3-12,14H2,1-2H3/b15-13-
InChIKeyKNODRWDJGAQLOU-SQFISAMPSA-N
MW238.41 g/mol
LogP5.44
Rot. Bonds12

About (Z)-hexadec-9-en-8-one

(Z)-hexadec-9-en-8-one (PubChem CID 134907163) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (Z)-hexadec-9-en-8-one.

Molecular Properties

Compound Name(Z)-hexadec-9-en-8-one
PubChem CID134907163
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(Z)-hexadec-9-en-8-one
SMILESCCCCCC/C=C\C(=O)CCCCCCC
InChIInChI=1S/C16H30O/c1-3-5-7-9-11-13-15-16(17)14-12-10-8-6-4-2/h13,15H,3-12,14H2,1-2H3/b15-13-
InChIKeyKNODRWDJGAQLOU-SQFISAMPSA-N
XLogP5.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-henicos-9-en-11-one
CID 6366356
henicos-9-en-11-one
CID 3023243
(E)-icos-11-en-10-one
CID 101359358
methyl (E)-9-oxooctadec-10-enoate
CID 13173899
nonadeca-2,12-dien-4-one
CID 151605854
(E)-6-oxopentadec-4-enal
CID 10988341
(E)-1-[[(E)-3-oxoundec-4-enyl]disulfanyl]undec-4-en-3-one
CID 127049681
(E)-N-(2-chloroethyl)-8-oxooctadec-9-enamide
CID 53317468
(E)-1-hydroxynonadec-2-en-4-one
CID 6366716
(E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide
CID 53324035
hexadecanoic acid;non-3-en-2-one
CID 161074659
4-oxohenicosa-5,12,15-trienal
CID 91135390

Frequently Asked Questions

What is the IUPAC name of (Z)-hexadec-9-en-8-one?
The IUPAC name of (Z)-hexadec-9-en-8-one (CID 134907163) is (Z)-hexadec-9-en-8-one.
What is the SMILES notation for (Z)-hexadec-9-en-8-one?
The canonical SMILES for (Z)-hexadec-9-en-8-one is CCCCCC/C=C\C(=O)CCCCCCC.
What is the InChIKey of (Z)-hexadec-9-en-8-one?
The InChIKey is KNODRWDJGAQLOU-SQFISAMPSA-N. The full InChI is InChI=1S/C16H30O/c1-3-5-7-9-11-13-15-16(17)14-12-10-8-6-4-2/h13,15H,3-12,14H2,1-2H3/b15-13-.
What are the key properties of (Z)-hexadec-9-en-8-one?
(Z)-hexadec-9-en-8-one has a molecular weight of 238.41 g/mol, XLogP of 5.44, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hexadec-9-en-8-one is sourced from PubChem (CID 134907163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).