2-propyl-5-(4-propylcyclohexyl)cyclohexan-1-one

C18H32O — CID 23041295

IUPAC2-propyl-5-(4-propylcyclohexyl)cyclohexan-1-one
SMILESCCCC1CCC(C2CCC(CCC)C(=O)C2)CC1
InChIInChI=1S/C18H32O/c1-3-5-14-7-9-15(10-8-14)17-12-11-16(6-4-2)18(19)13-17/h14-17H,3-13H2,1-2H3
InChIKeyPRIMYJYMEIARMN-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.38
Rot. Bonds5

About 2-propyl-5-(4-propylcyclohexyl)cyclohexan-1-one

2-propyl-5-(4-propylcyclohexyl)cyclohexan-1-one (PubChem CID 23041295) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 2-propyl-5-(4-propylcyclohexyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-propyl-5-(4-propylcyclohexyl)cyclohexan-1-one
PubChem CID23041295
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name2-propyl-5-(4-propylcyclohexyl)cyclohexan-1-one
SMILESCCCC1CCC(C2CCC(CCC)C(=O)C2)CC1
InChIInChI=1S/C18H32O/c1-3-5-14-7-9-15(10-8-14)17-12-11-16(6-4-2)18(19)13-17/h14-17H,3-13H2,1-2H3
InChIKeyPRIMYJYMEIARMN-UHFFFAOYSA-N
XLogP5.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
6-[2-(4-propylcyclohexyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
CID 139837444
1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione
CID 138493592
3-propylbicyclo[4.2.0]octane
CID 145186098
1-[(E)-prop-1-enyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 59247481
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 173420851
2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
CID 22157204
methyl (1S)-1-methyl-2-oxo-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane-1-carboxylate
CID 70371560

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-(4-propylcyclohexyl)cyclohexan-1-one?
The IUPAC name of 2-propyl-5-(4-propylcyclohexyl)cyclohexan-1-one (CID 23041295) is 2-propyl-5-(4-propylcyclohexyl)cyclohexan-1-one.
What is the SMILES notation for 2-propyl-5-(4-propylcyclohexyl)cyclohexan-1-one?
The canonical SMILES for 2-propyl-5-(4-propylcyclohexyl)cyclohexan-1-one is CCCC1CCC(C2CCC(CCC)C(=O)C2)CC1.
What is the InChIKey of 2-propyl-5-(4-propylcyclohexyl)cyclohexan-1-one?
The InChIKey is PRIMYJYMEIARMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-3-5-14-7-9-15(10-8-14)17-12-11-16(6-4-2)18(19)13-17/h14-17H,3-13H2,1-2H3.
What are the key properties of 2-propyl-5-(4-propylcyclohexyl)cyclohexan-1-one?
2-propyl-5-(4-propylcyclohexyl)cyclohexan-1-one has a molecular weight of 264.45 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-(4-propylcyclohexyl)cyclohexan-1-one is sourced from PubChem (CID 23041295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).