(5E,9E)-11-cyclobutyl-5,9-dimethylundeca-5,9-dien-2-one

C17H28O — CID 145113711

IUPAC(5E,9E)-11-cyclobutyl-5,9-dimethylundeca-5,9-dien-2-one
SMILESCC(=O)CC/C(C)=C/CC/C(C)=C/CC1CCC1
InChIInChI=1S/C17H28O/c1-14(10-12-16(3)18)6-4-7-15(2)11-13-17-8-5-9-17/h6,11,17H,4-5,7-10,12-13H2,1-3H3/b14-6+,15-11+
InChIKeyLNSGCHJLTODBNP-XYKVRWSESA-N
MW248.41 g/mol
LogP5.22
Rot. Bonds8

About (5E,9E)-11-cyclobutyl-5,9-dimethylundeca-5,9-dien-2-one

(5E,9E)-11-cyclobutyl-5,9-dimethylundeca-5,9-dien-2-one (PubChem CID 145113711) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is (5E,9E)-11-cyclobutyl-5,9-dimethylundeca-5,9-dien-2-one.

Molecular Properties

Compound Name(5E,9E)-11-cyclobutyl-5,9-dimethylundeca-5,9-dien-2-one
PubChem CID145113711
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name(5E,9E)-11-cyclobutyl-5,9-dimethylundeca-5,9-dien-2-one
SMILESCC(=O)CC/C(C)=C/CC/C(C)=C/CC1CCC1
InChIInChI=1S/C17H28O/c1-14(10-12-16(3)18)6-4-7-15(2)11-13-17-8-5-9-17/h6,11,17H,4-5,7-10,12-13H2,1-3H3/b14-6+,15-11+
InChIKeyLNSGCHJLTODBNP-XYKVRWSESA-N
XLogP5.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5E,9E)-11-cyclobutyl-5,9-dimethylundeca-5,9-dien-2-one with MolForge

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Launch Full Analysis

Related Compounds

(E)-8-hydroxy-5-methyloct-5-en-2-one
CID 102321147
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
4,8-dimethyl-12-oxotrideca-4,8-dienal
CID 71381085
11-chloro-6,10-dimethylundeca-5,9-dien-2-one
CID 173363850
(5E)-5,9-dimethyldeca-5,8-dien-2-one
CID 5369930
(5-cyclohexyl-3-methylpent-3-enyl) methanesulfonate
CID 54496519
(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal
CID 87827115
2-(3,7-dimethylnona-2,6-dienyl)cyclopentane-1,3-dione
CID 141279225
(4E,8E)-4,8,11,11-tetramethyldodeca-4,8-dienal;(5E,9E)-5,9,12,12-tetramethyltrideca-5,9-dien-2-one
CID 165057425
2-(3,7-dimethylocta-2,6-dienyl)cyclohexane-1,3-dione
CID 70579950
methyl (5E,9E)-11-cyclohexyl-6,10-dimethyl-2-methylideneundeca-5,9-dienoate
CID 155213089

Frequently Asked Questions

What is the IUPAC name of (5E,9E)-11-cyclobutyl-5,9-dimethylundeca-5,9-dien-2-one?
The IUPAC name of (5E,9E)-11-cyclobutyl-5,9-dimethylundeca-5,9-dien-2-one (CID 145113711) is (5E,9E)-11-cyclobutyl-5,9-dimethylundeca-5,9-dien-2-one.
What is the SMILES notation for (5E,9E)-11-cyclobutyl-5,9-dimethylundeca-5,9-dien-2-one?
The canonical SMILES for (5E,9E)-11-cyclobutyl-5,9-dimethylundeca-5,9-dien-2-one is CC(=O)CC/C(C)=C/CC/C(C)=C/CC1CCC1.
What is the InChIKey of (5E,9E)-11-cyclobutyl-5,9-dimethylundeca-5,9-dien-2-one?
The InChIKey is LNSGCHJLTODBNP-XYKVRWSESA-N. The full InChI is InChI=1S/C17H28O/c1-14(10-12-16(3)18)6-4-7-15(2)11-13-17-8-5-9-17/h6,11,17H,4-5,7-10,12-13H2,1-3H3/b14-6+,15-11+.
What are the key properties of (5E,9E)-11-cyclobutyl-5,9-dimethylundeca-5,9-dien-2-one?
(5E,9E)-11-cyclobutyl-5,9-dimethylundeca-5,9-dien-2-one has a molecular weight of 248.41 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-11-cyclobutyl-5,9-dimethylundeca-5,9-dien-2-one is sourced from PubChem (CID 145113711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).