(9E)-6,10,14-trimethylpentadeca-9,13-dien-2-one

C18H32O — CID 5363413

IUPAC(9E)-6,10,14-trimethylpentadeca-9,13-dien-2-one
SMILESCC(=O)CCCC(C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C18H32O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,17H,6-8,10,12-14H2,1-5H3/b16-11+
InChIKeyINPFUDIQDUQFDI-LFIBNONCSA-N
MW264.45 g/mol
LogP5.85
Rot. Bonds10

About (9E)-6,10,14-trimethylpentadeca-9,13-dien-2-one

(9E)-6,10,14-trimethylpentadeca-9,13-dien-2-one (PubChem CID 5363413) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is (9E)-6,10,14-trimethylpentadeca-9,13-dien-2-one.

Molecular Properties

Compound Name(9E)-6,10,14-trimethylpentadeca-9,13-dien-2-one
PubChem CID5363413
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name(9E)-6,10,14-trimethylpentadeca-9,13-dien-2-one
SMILESCC(=O)CCCC(C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C18H32O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,17H,6-8,10,12-14H2,1-5H3/b16-11+
InChIKeyINPFUDIQDUQFDI-LFIBNONCSA-N
XLogP5.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (9E)-6,10,14-trimethylpentadeca-9,13-dien-2-one?
The IUPAC name of (9E)-6,10,14-trimethylpentadeca-9,13-dien-2-one (CID 5363413) is (9E)-6,10,14-trimethylpentadeca-9,13-dien-2-one.
What is the SMILES notation for (9E)-6,10,14-trimethylpentadeca-9,13-dien-2-one?
The canonical SMILES for (9E)-6,10,14-trimethylpentadeca-9,13-dien-2-one is CC(=O)CCCC(C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (9E)-6,10,14-trimethylpentadeca-9,13-dien-2-one?
The InChIKey is INPFUDIQDUQFDI-LFIBNONCSA-N. The full InChI is InChI=1S/C18H32O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,17H,6-8,10,12-14H2,1-5H3/b16-11+.
What are the key properties of (9E)-6,10,14-trimethylpentadeca-9,13-dien-2-one?
(9E)-6,10,14-trimethylpentadeca-9,13-dien-2-one has a molecular weight of 264.45 g/mol, XLogP of 5.85, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-6,10,14-trimethylpentadeca-9,13-dien-2-one is sourced from PubChem (CID 5363413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).