1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene

C18H28 — CID 154060470

IUPAC1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene
SMILESCC(C)Cc1cccc(CCC2CCCCC2)c1
InChIInChI=1S/C18H28/c1-15(2)13-18-10-6-9-17(14-18)12-11-16-7-4-3-5-8-16/h6,9-10,14-16H,3-5,7-8,11-13H2,1-2H3
InChIKeyKVAYIZNAHDJZIK-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.40
Rot. Bonds5

About 1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene

1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene (PubChem CID 154060470) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene
PubChem CID154060470
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene
SMILESCC(C)Cc1cccc(CCC2CCCCC2)c1
InChIInChI=1S/C18H28/c1-15(2)13-18-10-6-9-17(14-18)12-11-16-7-4-3-5-8-16/h6,9-10,14-16H,3-5,7-8,11-13H2,1-2H3
InChIKeyKVAYIZNAHDJZIK-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine
CID 105050635
2-phenylethylcyclooctane
CID 54073487
3-[3-(2-cyclohexylethyl)phenyl]-N-methylbutan-1-amine
CID 155329136
1-(5-cyclohexylpentyl)-3-ethylbenzene
CID 91406519
cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine
CID 116544893
1-cyclobutyl-3-(2-methylpropyl)benzene
CID 169137072
1-(2-cyclopentylethyl)-3-phenoxybenzene
CID 91806427
1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene
CID 158814859
1-[2-[4-(2-cyclohexylethyl)cyclohexyl]ethyl]-4-(2-phenylethyl)benzene
CID 20724010
2-[3-(2-methylpropyl)phenyl]azepane
CID 116545597
4-cyclopentyl-1-(3-methylphenyl)butan-2-ol
CID 55149919
1-cyclopropyl-2-[3-(2-methylpropyl)phenyl]propan-2-ol
CID 116542889

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene?
The IUPAC name of 1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene (CID 154060470) is 1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene is CC(C)Cc1cccc(CCC2CCCCC2)c1.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene?
The InChIKey is KVAYIZNAHDJZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-15(2)13-18-10-6-9-17(14-18)12-11-16-7-4-3-5-8-16/h6,9-10,14-16H,3-5,7-8,11-13H2,1-2H3.
What are the key properties of 1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene?
1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene has a molecular weight of 244.42 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-(2-methylpropyl)benzene is sourced from PubChem (CID 154060470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).