(Z)-13-methylpentadec-8-en-2-one

C16H30O — CID 139587694

IUPAC(Z)-13-methylpentadec-8-en-2-one
SMILESCCC(C)CCC/C=C\CCCCCC(C)=O
InChIInChI=1S/C16H30O/c1-4-15(2)13-11-9-7-5-6-8-10-12-14-16(3)17/h5,7,15H,4,6,8-14H2,1-3H3/b7-5-
InChIKeyJGSKBIBNWYDXMK-ALCCZGGFSA-N
MW238.41 g/mol
LogP5.30
Rot. Bonds11

About (Z)-13-methylpentadec-8-en-2-one

(Z)-13-methylpentadec-8-en-2-one (PubChem CID 139587694) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (Z)-13-methylpentadec-8-en-2-one.

Molecular Properties

Compound Name(Z)-13-methylpentadec-8-en-2-one
PubChem CID139587694
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(Z)-13-methylpentadec-8-en-2-one
SMILESCCC(C)CCC/C=C\CCCCCC(C)=O
InChIInChI=1S/C16H30O/c1-4-15(2)13-11-9-7-5-6-8-10-12-14-16(3)17/h5,7,15H,4,6,8-14H2,1-3H3/b7-5-
InChIKeyJGSKBIBNWYDXMK-ALCCZGGFSA-N
XLogP5.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydro-pseudo-ionone
CID 102604
alpha-Damascone
CID 520506
Civetone
CID 5315941
2-(3,7-Dimethyl-2,6-octadienyl)cyclopentanone
CID 6437428
Nerone
CID 35785
4-Acetyl-1-methylcyclohexene
CID 93019
8-Cyclohexadecen-1-one
CID 6365152
2-(2-Pentenyl)cyclopentanone, (2E)-
CID 6437002
5-Cyclohexadecen-1-one
CID 162268
(8Z)-cyclohexadec-8-en-1-one
CID 5362739
2-(2-Octenyl)cyclopentanone, (E)-
CID 5367848
2-(3-Methyl-2-butenyl)cyclopentanone
CID 102835

Frequently Asked Questions

What is the IUPAC name of (Z)-13-methylpentadec-8-en-2-one?
The IUPAC name of (Z)-13-methylpentadec-8-en-2-one (CID 139587694) is (Z)-13-methylpentadec-8-en-2-one.
What is the SMILES notation for (Z)-13-methylpentadec-8-en-2-one?
The canonical SMILES for (Z)-13-methylpentadec-8-en-2-one is CCC(C)CCC/C=C\CCCCCC(C)=O.
What is the InChIKey of (Z)-13-methylpentadec-8-en-2-one?
The InChIKey is JGSKBIBNWYDXMK-ALCCZGGFSA-N. The full InChI is InChI=1S/C16H30O/c1-4-15(2)13-11-9-7-5-6-8-10-12-14-16(3)17/h5,7,15H,4,6,8-14H2,1-3H3/b7-5-.
What are the key properties of (Z)-13-methylpentadec-8-en-2-one?
(Z)-13-methylpentadec-8-en-2-one has a molecular weight of 238.41 g/mol, XLogP of 5.30, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-13-methylpentadec-8-en-2-one is sourced from PubChem (CID 139587694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).