2-(4-propylcyclohexyl)cyclohex-3-en-1-one

C15H24O — CID 67648648

IUPAC2-(4-propylcyclohexyl)cyclohex-3-en-1-one
SMILESCCCC1CCC(C2C=CCCC2=O)CC1
InChIInChI=1S/C15H24O/c1-2-5-12-8-10-13(11-9-12)14-6-3-4-7-15(14)16/h3,6,12-14H,2,4-5,7-11H2,1H3
InChIKeyWEHDCSLFWFVQEL-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.13
Rot. Bonds3

About 2-(4-propylcyclohexyl)cyclohex-3-en-1-one

2-(4-propylcyclohexyl)cyclohex-3-en-1-one (PubChem CID 67648648) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(4-propylcyclohexyl)cyclohex-3-en-1-one.

Molecular Properties

Compound Name2-(4-propylcyclohexyl)cyclohex-3-en-1-one
PubChem CID67648648
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-(4-propylcyclohexyl)cyclohex-3-en-1-one
SMILESCCCC1CCC(C2C=CCCC2=O)CC1
InChIInChI=1S/C15H24O/c1-2-5-12-8-10-13(11-9-12)14-6-3-4-7-15(14)16/h3,6,12-14H,2,4-5,7-11H2,1H3
InChIKeyWEHDCSLFWFVQEL-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione
CID 138493592
2-propyl-5-(4-propylcyclohexyl)cyclohexan-1-one
CID 23041295
4-(4-propylcyclohexyl)cyclohexene
CID 18964431
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
ethane;propane;propylcyclopropane
CID 145406182
8-(4-propylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62740147
1,4-dipropylcyclohexane;pentane
CID 90867354
2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
CID 22157204
3-propylbicyclo[4.2.0]octane
CID 145186098

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylcyclohexyl)cyclohex-3-en-1-one?
The IUPAC name of 2-(4-propylcyclohexyl)cyclohex-3-en-1-one (CID 67648648) is 2-(4-propylcyclohexyl)cyclohex-3-en-1-one.
What is the SMILES notation for 2-(4-propylcyclohexyl)cyclohex-3-en-1-one?
The canonical SMILES for 2-(4-propylcyclohexyl)cyclohex-3-en-1-one is CCCC1CCC(C2C=CCCC2=O)CC1.
What is the InChIKey of 2-(4-propylcyclohexyl)cyclohex-3-en-1-one?
The InChIKey is WEHDCSLFWFVQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-2-5-12-8-10-13(11-9-12)14-6-3-4-7-15(14)16/h3,6,12-14H,2,4-5,7-11H2,1H3.
What are the key properties of 2-(4-propylcyclohexyl)cyclohex-3-en-1-one?
2-(4-propylcyclohexyl)cyclohex-3-en-1-one has a molecular weight of 220.36 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylcyclohexyl)cyclohex-3-en-1-one is sourced from PubChem (CID 67648648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).