1-butyl-2-(1-cyclohexylethyl)benzene

C18H28 — CID 139768984

IUPAC1-butyl-2-(1-cyclohexylethyl)benzene
SMILESCCCCc1ccccc1C(C)C1CCCCC1
InChIInChI=1S/C18H28/c1-3-4-10-17-13-8-9-14-18(17)15(2)16-11-6-5-7-12-16/h8-9,13-16H,3-7,10-12H2,1-2H3
InChIKeyDQPIEPHGHSYMMR-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.71
Rot. Bonds5

About 1-butyl-2-(1-cyclohexylethyl)benzene

1-butyl-2-(1-cyclohexylethyl)benzene (PubChem CID 139768984) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-butyl-2-(1-cyclohexylethyl)benzene.

Molecular Properties

Compound Name1-butyl-2-(1-cyclohexylethyl)benzene
PubChem CID139768984
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name1-butyl-2-(1-cyclohexylethyl)benzene
SMILESCCCCc1ccccc1C(C)C1CCCCC1
InChIInChI=1S/C18H28/c1-3-4-10-17-13-8-9-14-18(17)15(2)16-11-6-5-7-12-16/h8-9,13-16H,3-7,10-12H2,1-2H3
InChIKeyDQPIEPHGHSYMMR-UHFFFAOYSA-N
XLogP5.71
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 ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-2-[1-(2-butylphenyl)ethyl]benzene
CID 19828902
1-(4-cyclohexylbutyl)-2-propan-2-ylbenzene
CID 157388157
bis(2-butylphenyl)methylphosphane
CID 90110024
1-butan-2-yl-2-butylbenzene;ethane;propane
CID 144927563
2-[2-[1-(oxan-4-yl)ethyl]phenyl]ethanamine
CID 115039806
1-(difluoromethyl)-2-pentylbenzene
CID 162568517
1-(4-cyclohexylbutan-2-yl)-2-propylbenzene
CID 142148571
1-pentadecyl-2-propan-2-ylbenzene;sulfane
CID 174904763
2-(1-cyclohexylethyl)benzoic acid
CID 115038988
1-cyclohexyl-2-heptylbenzene
CID 154399814
CID 159940559
CID 159940559
[2-[1-(1,1-dioxothian-3-yl)ethyl]phenyl]methanamine
CID 115049800

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(1-cyclohexylethyl)benzene?
The IUPAC name of 1-butyl-2-(1-cyclohexylethyl)benzene (CID 139768984) is 1-butyl-2-(1-cyclohexylethyl)benzene.
What is the SMILES notation for 1-butyl-2-(1-cyclohexylethyl)benzene?
The canonical SMILES for 1-butyl-2-(1-cyclohexylethyl)benzene is CCCCc1ccccc1C(C)C1CCCCC1.
What is the InChIKey of 1-butyl-2-(1-cyclohexylethyl)benzene?
The InChIKey is DQPIEPHGHSYMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-3-4-10-17-13-8-9-14-18(17)15(2)16-11-6-5-7-12-16/h8-9,13-16H,3-7,10-12H2,1-2H3.
What are the key properties of 1-butyl-2-(1-cyclohexylethyl)benzene?
1-butyl-2-(1-cyclohexylethyl)benzene has a molecular weight of 244.42 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(1-cyclohexylethyl)benzene is sourced from PubChem (CID 139768984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).