2-decyl-4-methylcyclohexan-1-one

C17H32O — CID 55185770

IUPAC2-decyl-4-methylcyclohexan-1-one
SMILESCCCCCCCCCCC1CC(C)CCC1=O
InChIInChI=1S/C17H32O/c1-3-4-5-6-7-8-9-10-11-16-14-15(2)12-13-17(16)18/h15-16H,3-14H2,1-2H3
InChIKeyRDBCPLPYWDSRKI-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.52
Rot. Bonds9

About 2-decyl-4-methylcyclohexan-1-one

2-decyl-4-methylcyclohexan-1-one (PubChem CID 55185770) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 2-decyl-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-decyl-4-methylcyclohexan-1-one
PubChem CID55185770
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name2-decyl-4-methylcyclohexan-1-one
SMILESCCCCCCCCCCC1CC(C)CCC1=O
InChIInChI=1S/C17H32O/c1-3-4-5-6-7-8-9-10-11-16-14-15(2)12-13-17(16)18/h15-16H,3-14H2,1-2H3
InChIKeyRDBCPLPYWDSRKI-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

4-methyl-2-(3-methylsulfonylpropyl)cyclohexan-1-one
CID 63191577
2-decylcyclopentan-1-one
CID 12823821
2-nonylcyclododecan-1-one
CID 14296722
2-pentadecylcyclopropan-1-one
CID 70874004
(2R)-2-pentylcyclohexan-1-one
CID 86310435
4-methyl-2-(3-oxobutyl)cyclohexan-1-one
CID 15048102
2-butyl-4-(dimethylamino)cyclohexan-1-one
CID 150896185
carbon monoxide;cobalt;2-hexylcyclohexan-1-one
CID 134877528
2-(diethylaminomethyl)-4-methylcyclohexan-1-one
CID 62611674
2-octylcyclohexane-1,3-dione
CID 102322610
4-methyl-2-(2-oxopropyl)cyclohexan-1-one
CID 24974245
1-hexyl-4-methyl-2-methylidenecyclopentane
CID 143150354

Frequently Asked Questions

What is the IUPAC name of 2-decyl-4-methylcyclohexan-1-one?
The IUPAC name of 2-decyl-4-methylcyclohexan-1-one (CID 55185770) is 2-decyl-4-methylcyclohexan-1-one.
What is the SMILES notation for 2-decyl-4-methylcyclohexan-1-one?
The canonical SMILES for 2-decyl-4-methylcyclohexan-1-one is CCCCCCCCCCC1CC(C)CCC1=O.
What is the InChIKey of 2-decyl-4-methylcyclohexan-1-one?
The InChIKey is RDBCPLPYWDSRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-3-4-5-6-7-8-9-10-11-16-14-15(2)12-13-17(16)18/h15-16H,3-14H2,1-2H3.
What are the key properties of 2-decyl-4-methylcyclohexan-1-one?
2-decyl-4-methylcyclohexan-1-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 2-decyl-4-methylcyclohexan-1-one is sourced from PubChem (CID 55185770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).