(Z)-12-methylhenicos-11-en-10-one

C22H42O — CID 122379193

IUPAC(Z)-12-methylhenicos-11-en-10-one
SMILESCCCCCCCCCC(=O)/C=C(/C)CCCCCCCCC
InChIInChI=1S/C22H42O/c1-4-6-8-10-12-14-16-18-21(3)20-22(23)19-17-15-13-11-9-7-5-2/h20H,4-19H2,1-3H3/b21-20-
InChIKeyXOBAOPHJTQNKNV-MRCUWXFGSA-N
MW322.58 g/mol
LogP7.78
Rot. Bonds17

About (Z)-12-methylhenicos-11-en-10-one

(Z)-12-methylhenicos-11-en-10-one (PubChem CID 122379193) has the molecular formula C22H42O and a molecular weight of 322.58 g/mol. Its IUPAC name is (Z)-12-methylhenicos-11-en-10-one.

Molecular Properties

Compound Name(Z)-12-methylhenicos-11-en-10-one
PubChem CID122379193
Molecular FormulaC22H42O
Molecular Weight322.58 g/mol
Exact Mass322.32
IUPAC Name(Z)-12-methylhenicos-11-en-10-one
SMILESCCCCCCCCCC(=O)/C=C(/C)CCCCCCCCC
InChIInChI=1S/C22H42O/c1-4-6-8-10-12-14-16-18-21(3)20-22(23)19-17-15-13-11-9-7-5-2/h20H,4-19H2,1-3H3/b21-20-
InChIKeyXOBAOPHJTQNKNV-MRCUWXFGSA-N
XLogP7.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 57.78
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)-4-methyldodec-3-en-2-one
CID 19609505
4-methylundec-3-en-2-one
CID 103970939
(Z)-4-methylundec-3-en-2-one
CID 121464257
3-methylpentadec-2-enamide
CID 174903366
(Z)-11-hydroxynonadec-10-en-9-one
CID 58983053
(Z)-7-hydroxyhexacos-7-en-9-one
CID 122377980
2-methyl-4-oxotridec-2-enamide
CID 141089964
(2E,4E)-3,5-dimethylicosa-2,4-dienoic acid
CID 11056828
methyl (Z)-3-methyloct-2-enoate
CID 14332772
ethyl (Z)-3-methylundec-2-enoate
CID 89095878
nonatriacontan-2-one
CID 141365496
octadecakis(hexane);nonan-2-one
CID 173226284

Frequently Asked Questions

What is the IUPAC name of (Z)-12-methylhenicos-11-en-10-one?
The IUPAC name of (Z)-12-methylhenicos-11-en-10-one (CID 122379193) is (Z)-12-methylhenicos-11-en-10-one.
What is the SMILES notation for (Z)-12-methylhenicos-11-en-10-one?
The canonical SMILES for (Z)-12-methylhenicos-11-en-10-one is CCCCCCCCCC(=O)/C=C(/C)CCCCCCCCC.
What is the InChIKey of (Z)-12-methylhenicos-11-en-10-one?
The InChIKey is XOBAOPHJTQNKNV-MRCUWXFGSA-N. The full InChI is InChI=1S/C22H42O/c1-4-6-8-10-12-14-16-18-21(3)20-22(23)19-17-15-13-11-9-7-5-2/h20H,4-19H2,1-3H3/b21-20-.
What are the key properties of (Z)-12-methylhenicos-11-en-10-one?
(Z)-12-methylhenicos-11-en-10-one has a molecular weight of 322.58 g/mol, XLogP of 7.78, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-12-methylhenicos-11-en-10-one is sourced from PubChem (CID 122379193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).