1-(4-propylcyclohexyl)decan-1-one

C19H36O — CID 65424252

IUPAC1-(4-propylcyclohexyl)decan-1-one
SMILESCCCCCCCCCC(=O)C1CCC(CCC)CC1
InChIInChI=1S/C19H36O/c1-3-5-6-7-8-9-10-12-19(20)18-15-13-17(11-4-2)14-16-18/h17-18H,3-16H2,1-2H3
InChIKeyQUWPPELYAAIYJJ-UHFFFAOYSA-N
MW280.50 g/mol
LogP6.30
Rot. Bonds11

About 1-(4-propylcyclohexyl)decan-1-one

1-(4-propylcyclohexyl)decan-1-one (PubChem CID 65424252) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-(4-propylcyclohexyl)decan-1-one.

Molecular Properties

Compound Name1-(4-propylcyclohexyl)decan-1-one
PubChem CID65424252
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name1-(4-propylcyclohexyl)decan-1-one
SMILESCCCCCCCCCC(=O)C1CCC(CCC)CC1
InChIInChI=1S/C19H36O/c1-3-5-6-7-8-9-10-12-19(20)18-15-13-17(11-4-2)14-16-18/h17-18H,3-16H2,1-2H3
InChIKeyQUWPPELYAAIYJJ-UHFFFAOYSA-N
XLogP6.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.30
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-[4-(aminomethyl)cyclohexyl]hexan-1-one
CID 116592469
1-cyclobutyldodecan-1-one
CID 115811550
1-(3-ethylcyclopentyl)tridecan-1-one
CID 65406595
1-(4-propylcyclohexyl)pent-4-yn-1-one
CID 65424447
1-(4-tert-butylcyclohexyl)hexan-1-one
CID 65402508
3-chloro-1-[4-(4-propylcyclohexyl)cyclohexyl]propan-1-one
CID 175787154
1-cyclohexyldecan-1-one
CID 63409715
1-cyclopropyltritriacontan-16-one
CID 175774225
4-(oxolan-2-yl)-1-(4-propylcyclohexyl)butan-1-one
CID 65425226
1-(4-methylcyclohexyl)pentan-1-one
CID 62621945
(4-hexylcyclohexyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 23334615
4-heptylcyclohexane-1-carboxylic acid;hydrochloride
CID 70374677

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylcyclohexyl)decan-1-one?
The IUPAC name of 1-(4-propylcyclohexyl)decan-1-one (CID 65424252) is 1-(4-propylcyclohexyl)decan-1-one.
What is the SMILES notation for 1-(4-propylcyclohexyl)decan-1-one?
The canonical SMILES for 1-(4-propylcyclohexyl)decan-1-one is CCCCCCCCCC(=O)C1CCC(CCC)CC1.
What is the InChIKey of 1-(4-propylcyclohexyl)decan-1-one?
The InChIKey is QUWPPELYAAIYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-3-5-6-7-8-9-10-12-19(20)18-15-13-17(11-4-2)14-16-18/h17-18H,3-16H2,1-2H3.
What are the key properties of 1-(4-propylcyclohexyl)decan-1-one?
1-(4-propylcyclohexyl)decan-1-one has a molecular weight of 280.50 g/mol, XLogP of 6.30, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylcyclohexyl)decan-1-one is sourced from PubChem (CID 65424252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).