10-hydroxy-10-methylheptadeca-1,16-dien-8-one

C18H32O2 — CID 86056751

IUPAC10-hydroxy-10-methylheptadeca-1,16-dien-8-one
SMILESC=CCCCCCC(=O)CC(C)(O)CCCCCC=C
InChIInChI=1S/C18H32O2/c1-4-6-8-10-12-14-17(19)16-18(3,20)15-13-11-9-7-5-2/h4-5,20H,1-2,6-16H2,3H3
InChIKeyFCPIQQQLOLBBAW-UHFFFAOYSA-N
MW280.45 g/mol
LogP4.97
Rot. Bonds14

About 10-hydroxy-10-methylheptadeca-1,16-dien-8-one

10-hydroxy-10-methylheptadeca-1,16-dien-8-one (PubChem CID 86056751) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 10-hydroxy-10-methylheptadeca-1,16-dien-8-one.

Molecular Properties

Compound Name10-hydroxy-10-methylheptadeca-1,16-dien-8-one
PubChem CID86056751
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name10-hydroxy-10-methylheptadeca-1,16-dien-8-one
SMILESC=CCCCCCC(=O)CC(C)(O)CCCCCC=C
InChIInChI=1S/C18H32O2/c1-4-6-8-10-12-14-17(19)16-18(3,20)15-13-11-9-7-5-2/h4-5,20H,1-2,6-16H2,3H3
InChIKeyFCPIQQQLOLBBAW-UHFFFAOYSA-N
XLogP4.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 10-hydroxy-10-methylheptadeca-1,16-dien-8-one?
The IUPAC name of 10-hydroxy-10-methylheptadeca-1,16-dien-8-one (CID 86056751) is 10-hydroxy-10-methylheptadeca-1,16-dien-8-one.
What is the SMILES notation for 10-hydroxy-10-methylheptadeca-1,16-dien-8-one?
The canonical SMILES for 10-hydroxy-10-methylheptadeca-1,16-dien-8-one is C=CCCCCCC(=O)CC(C)(O)CCCCCC=C.
What is the InChIKey of 10-hydroxy-10-methylheptadeca-1,16-dien-8-one?
The InChIKey is FCPIQQQLOLBBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-4-6-8-10-12-14-17(19)16-18(3,20)15-13-11-9-7-5-2/h4-5,20H,1-2,6-16H2,3H3.
What are the key properties of 10-hydroxy-10-methylheptadeca-1,16-dien-8-one?
10-hydroxy-10-methylheptadeca-1,16-dien-8-one has a molecular weight of 280.45 g/mol, XLogP of 4.97, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-10-methylheptadeca-1,16-dien-8-one is sourced from PubChem (CID 86056751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).