(Z)-15-methylhexadec-10-en-2-one

C17H32O — CID 139583949

IUPAC(Z)-15-methylhexadec-10-en-2-one
SMILESCC(=O)CCCCCCC/C=C\CCCC(C)C
InChIInChI=1S/C17H32O/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(3)18/h6,8,16H,4-5,7,9-15H2,1-3H3/b8-6-
InChIKeyZNCWHUGBBDLPLE-VURMDHGXSA-N
MW252.44 g/mol
LogP5.69
Rot. Bonds12

About (Z)-15-methylhexadec-10-en-2-one

(Z)-15-methylhexadec-10-en-2-one (PubChem CID 139583949) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is (Z)-15-methylhexadec-10-en-2-one.

Molecular Properties

Compound Name(Z)-15-methylhexadec-10-en-2-one
PubChem CID139583949
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name(Z)-15-methylhexadec-10-en-2-one
SMILESCC(=O)CCCCCCC/C=C\CCCC(C)C
InChIInChI=1S/C17H32O/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(3)18/h6,8,16H,4-5,7,9-15H2,1-3H3/b8-6-
InChIKeyZNCWHUGBBDLPLE-VURMDHGXSA-N
XLogP5.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-15-methylhexadec-10-en-2-one?
The IUPAC name of (Z)-15-methylhexadec-10-en-2-one (CID 139583949) is (Z)-15-methylhexadec-10-en-2-one.
What is the SMILES notation for (Z)-15-methylhexadec-10-en-2-one?
The canonical SMILES for (Z)-15-methylhexadec-10-en-2-one is CC(=O)CCCCCCC/C=C\CCCC(C)C.
What is the InChIKey of (Z)-15-methylhexadec-10-en-2-one?
The InChIKey is ZNCWHUGBBDLPLE-VURMDHGXSA-N. The full InChI is InChI=1S/C17H32O/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(3)18/h6,8,16H,4-5,7,9-15H2,1-3H3/b8-6-.
What are the key properties of (Z)-15-methylhexadec-10-en-2-one?
(Z)-15-methylhexadec-10-en-2-one has a molecular weight of 252.44 g/mol, XLogP of 5.69, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-15-methylhexadec-10-en-2-one is sourced from PubChem (CID 139583949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).