1-cyclohexyl-9-methyldecan-2-one

C17H32O — CID 57253495

IUPAC1-cyclohexyl-9-methyldecan-2-one
SMILESCC(C)CCCCCCC(=O)CC1CCCCC1
InChIInChI=1S/C17H32O/c1-15(2)10-6-3-4-9-13-17(18)14-16-11-7-5-8-12-16/h15-16H,3-14H2,1-2H3
InChIKeyMMZYBVIPAPXXSM-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.52
Rot. Bonds9

About 1-cyclohexyl-9-methyldecan-2-one

1-cyclohexyl-9-methyldecan-2-one (PubChem CID 57253495) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 1-cyclohexyl-9-methyldecan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-9-methyldecan-2-one
PubChem CID57253495
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name1-cyclohexyl-9-methyldecan-2-one
SMILESCC(C)CCCCCCC(=O)CC1CCCCC1
InChIInChI=1S/C17H32O/c1-15(2)10-6-3-4-9-13-17(18)14-16-11-7-5-8-12-16/h15-16H,3-14H2,1-2H3
InChIKeyMMZYBVIPAPXXSM-UHFFFAOYSA-N
XLogP5.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexylnonan-2-one
CID 22768059
1-(cyclohexylmethoxy)-8-methylnonan-2-one
CID 66919833
1-cyclopentylheptadecan-2-one
CID 142770613
1-cyclopentylundecan-2-one
CID 114966416
8-amino-1-cyclohexyloctan-2-one
CID 116551525
8-amino-1-cyclopentyloctan-2-one
CID 116551528
1-cyclopentyl-7-methyloctan-1-one
CID 155793674
2,16-dimethylheptadecan-6-one
CID 158111781
1-cyclohexyl-17,17,17-trifluoroheptadecan-2-one
CID 70050399
1-cyclopentylsulfanyl-6-methylheptan-2-one
CID 83158089
1-cycloheptyl-5-ethylsulfonylpentan-2-one
CID 114974504
13-methyltetradecylcyclopentane
CID 123698808

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-9-methyldecan-2-one?
The IUPAC name of 1-cyclohexyl-9-methyldecan-2-one (CID 57253495) is 1-cyclohexyl-9-methyldecan-2-one.
What is the SMILES notation for 1-cyclohexyl-9-methyldecan-2-one?
The canonical SMILES for 1-cyclohexyl-9-methyldecan-2-one is CC(C)CCCCCCC(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-9-methyldecan-2-one?
The InChIKey is MMZYBVIPAPXXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-15(2)10-6-3-4-9-13-17(18)14-16-11-7-5-8-12-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-cyclohexyl-9-methyldecan-2-one?
1-cyclohexyl-9-methyldecan-2-one has a molecular weight of 252.44 g/mol, XLogP of 5.52, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-9-methyldecan-2-one is sourced from PubChem (CID 57253495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).