(5E,9E,13Z)-15-hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one

C18H30O2 — CID 44586967

IUPAC(5E,9E,13Z)-15-hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO
InChIInChI=1S/C18H30O2/c1-15(10-6-12-17(3)14-19)8-5-9-16(2)11-7-13-18(4)20/h8,11-12,19H,5-7,9-10,13-14H2,1-4H3/b15-8+,16-11+,17-12-
InChIKeyBCMCYUUFPFCEKN-GVGVLJMYSA-N
MW278.44 g/mol
LogP4.75
Rot. Bonds10

About (5E,9E,13Z)-15-hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one

(5E,9E,13Z)-15-hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one (PubChem CID 44586967) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (5E,9E,13Z)-15-hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one.

Molecular Properties

Compound Name(5E,9E,13Z)-15-hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
PubChem CID44586967
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(5E,9E,13Z)-15-hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO
InChIInChI=1S/C18H30O2/c1-15(10-6-12-17(3)14-19)8-5-9-16(2)11-7-13-18(4)20/h8,11-12,19H,5-7,9-10,13-14H2,1-4H3/b15-8+,16-11+,17-12-
InChIKeyBCMCYUUFPFCEKN-GVGVLJMYSA-N
XLogP4.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E,9E,13Z)-15-hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one?
The IUPAC name of (5E,9E,13Z)-15-hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one (CID 44586967) is (5E,9E,13Z)-15-hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one.
What is the SMILES notation for (5E,9E,13Z)-15-hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one?
The canonical SMILES for (5E,9E,13Z)-15-hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one is CC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO.
What is the InChIKey of (5E,9E,13Z)-15-hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one?
The InChIKey is BCMCYUUFPFCEKN-GVGVLJMYSA-N. The full InChI is InChI=1S/C18H30O2/c1-15(10-6-12-17(3)14-19)8-5-9-16(2)11-7-13-18(4)20/h8,11-12,19H,5-7,9-10,13-14H2,1-4H3/b15-8+,16-11+,17-12-.
What are the key properties of (5E,9E,13Z)-15-hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one?
(5E,9E,13Z)-15-hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one has a molecular weight of 278.44 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E,13Z)-15-hydroxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one is sourced from PubChem (CID 44586967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).