(Z)-14-methylpentadec-8-en-2-one

C16H30O — CID 139585645

IUPAC(Z)-14-methylpentadec-8-en-2-one
SMILESCC(=O)CCCCC/C=C\CCCCC(C)C
InChIInChI=1S/C16H30O/c1-15(2)13-11-9-7-5-4-6-8-10-12-14-16(3)17/h4-5,15H,6-14H2,1-3H3/b5-4-
InChIKeyZWKXKRLJDGYHHX-PLNGDYQASA-N
MW238.41 g/mol
LogP5.30
Rot. Bonds11

About (Z)-14-methylpentadec-8-en-2-one

(Z)-14-methylpentadec-8-en-2-one (PubChem CID 139585645) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (Z)-14-methylpentadec-8-en-2-one.

Molecular Properties

Compound Name(Z)-14-methylpentadec-8-en-2-one
PubChem CID139585645
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(Z)-14-methylpentadec-8-en-2-one
SMILESCC(=O)CCCCC/C=C\CCCCC(C)C
InChIInChI=1S/C16H30O/c1-15(2)13-11-9-7-5-4-6-8-10-12-14-16(3)17/h4-5,15H,6-14H2,1-3H3/b5-4-
InChIKeyZWKXKRLJDGYHHX-PLNGDYQASA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-14-methylpentadec-8-en-2-one?
The IUPAC name of (Z)-14-methylpentadec-8-en-2-one (CID 139585645) is (Z)-14-methylpentadec-8-en-2-one.
What is the SMILES notation for (Z)-14-methylpentadec-8-en-2-one?
The canonical SMILES for (Z)-14-methylpentadec-8-en-2-one is CC(=O)CCCCC/C=C\CCCCC(C)C.
What is the InChIKey of (Z)-14-methylpentadec-8-en-2-one?
The InChIKey is ZWKXKRLJDGYHHX-PLNGDYQASA-N. The full InChI is InChI=1S/C16H30O/c1-15(2)13-11-9-7-5-4-6-8-10-12-14-16(3)17/h4-5,15H,6-14H2,1-3H3/b5-4-.
What are the key properties of (Z)-14-methylpentadec-8-en-2-one?
(Z)-14-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)-14-methylpentadec-8-en-2-one is sourced from PubChem (CID 139585645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).