2-(4-butylcyclohexyl)ethylbenzene

C18H28 — CID 19899703

IUPAC2-(4-butylcyclohexyl)ethylbenzene
SMILESCCCCC1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C18H28/c1-2-3-7-17-11-14-18(15-12-17)13-10-16-8-5-4-6-9-16/h4-6,8-9,17-18H,2-3,7,10-15H2,1H3
InChIKeyASXKXNNLOHBPKM-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.62
Rot. Bonds6

About 2-(4-butylcyclohexyl)ethylbenzene

2-(4-butylcyclohexyl)ethylbenzene (PubChem CID 19899703) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-(4-butylcyclohexyl)ethylbenzene.

Molecular Properties

Compound Name2-(4-butylcyclohexyl)ethylbenzene
PubChem CID19899703
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name2-(4-butylcyclohexyl)ethylbenzene
SMILESCCCCC1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C18H28/c1-2-3-7-17-11-14-18(15-12-17)13-10-16-8-5-4-6-9-16/h4-6,8-9,17-18H,2-3,7,10-15H2,1H3
InChIKeyASXKXNNLOHBPKM-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-(4-propylcyclohexyl)cyclohexyl]ethylbenzene
CID 22157204
4-[2-(4-butylcyclohexyl)ethyl]benzenethiol
CID 173376094
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
4-cyclopropylbutylbenzene
CID 10261592
5-cyclopropylpentylbenzene
CID 91089836
2-(4-pent-4-enylcyclohexyl)ethylbenzene
CID 56624486
2-phenylethylcyclooctane
CID 54073487
[2-(4-butylcyclohexyl)-2-chloroethyl]benzene
CID 63544761
[4-[2-(4-butylphenyl)ethyl]cyclohexyl]methanamine
CID 59546082
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene
CID 21265275
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 14439252
1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
CID 20724010

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylcyclohexyl)ethylbenzene?
The IUPAC name of 2-(4-butylcyclohexyl)ethylbenzene (CID 19899703) is 2-(4-butylcyclohexyl)ethylbenzene.
What is the SMILES notation for 2-(4-butylcyclohexyl)ethylbenzene?
The canonical SMILES for 2-(4-butylcyclohexyl)ethylbenzene is CCCCC1CCC(CCc2ccccc2)CC1.
What is the InChIKey of 2-(4-butylcyclohexyl)ethylbenzene?
The InChIKey is ASXKXNNLOHBPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-2-3-7-17-11-14-18(15-12-17)13-10-16-8-5-4-6-9-16/h4-6,8-9,17-18H,2-3,7,10-15H2,1H3.
What are the key properties of 2-(4-butylcyclohexyl)ethylbenzene?
2-(4-butylcyclohexyl)ethylbenzene has a molecular weight of 244.42 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylcyclohexyl)ethylbenzene is sourced from PubChem (CID 19899703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).