15-hydroxy-2-methylpentadec-1-en-3-one

C16H30O2 — CID 58592328

IUPAC15-hydroxy-2-methylpentadec-1-en-3-one
SMILESC=C(C)C(=O)CCCCCCCCCCCCO
InChIInChI=1S/C16H30O2/c1-15(2)16(18)13-11-9-7-5-3-4-6-8-10-12-14-17/h17H,1,3-14H2,2H3
InChIKeyWJCANOGZOWCMBC-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.41
Rot. Bonds13

About 15-hydroxy-2-methylpentadec-1-en-3-one

15-hydroxy-2-methylpentadec-1-en-3-one (PubChem CID 58592328) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 15-hydroxy-2-methylpentadec-1-en-3-one.

Molecular Properties

Compound Name15-hydroxy-2-methylpentadec-1-en-3-one
PubChem CID58592328
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name15-hydroxy-2-methylpentadec-1-en-3-one
SMILESC=C(C)C(=O)CCCCCCCCCCCCO
InChIInChI=1S/C16H30O2/c1-15(2)16(18)13-11-9-7-5-3-4-6-8-10-12-14-17/h17H,1,3-14H2,2H3
InChIKeyWJCANOGZOWCMBC-UHFFFAOYSA-N
XLogP4.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 15-hydroxy-2-methylpentadec-1-en-3-one?
The IUPAC name of 15-hydroxy-2-methylpentadec-1-en-3-one (CID 58592328) is 15-hydroxy-2-methylpentadec-1-en-3-one.
What is the SMILES notation for 15-hydroxy-2-methylpentadec-1-en-3-one?
The canonical SMILES for 15-hydroxy-2-methylpentadec-1-en-3-one is C=C(C)C(=O)CCCCCCCCCCCCO.
What is the InChIKey of 15-hydroxy-2-methylpentadec-1-en-3-one?
The InChIKey is WJCANOGZOWCMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-15(2)16(18)13-11-9-7-5-3-4-6-8-10-12-14-17/h17H,1,3-14H2,2H3.
What are the key properties of 15-hydroxy-2-methylpentadec-1-en-3-one?
15-hydroxy-2-methylpentadec-1-en-3-one has a molecular weight of 254.41 g/mol, XLogP of 4.41, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-hydroxy-2-methylpentadec-1-en-3-one is sourced from PubChem (CID 58592328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).