1-cyclohexyl-2-(2-ethylhexyl)benzene

C20H32 — CID 154130996

IUPAC1-cyclohexyl-2-(2-ethylhexyl)benzene
SMILESCCCCC(CC)Cc1ccccc1C1CCCCC1
InChIInChI=1S/C20H32/c1-3-5-11-17(4-2)16-19-14-9-10-15-20(19)18-12-7-6-8-13-18/h9-10,14-15,17-18H,3-8,11-13,16H2,1-2H3
InChIKeyBMUCIUVJNDWIPQ-UHFFFAOYSA-N
MW272.48 g/mol
LogP6.49
Rot. Bonds7

About 1-cyclohexyl-2-(2-ethylhexyl)benzene

1-cyclohexyl-2-(2-ethylhexyl)benzene (PubChem CID 154130996) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-ethylhexyl)benzene.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-ethylhexyl)benzene
PubChem CID154130996
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name1-cyclohexyl-2-(2-ethylhexyl)benzene
SMILESCCCCC(CC)Cc1ccccc1C1CCCCC1
InChIInChI=1S/C20H32/c1-3-5-11-17(4-2)16-19-14-9-10-15-20(19)18-12-7-6-8-13-18/h9-10,14-15,17-18H,3-8,11-13,16H2,1-2H3
InChIKeyBMUCIUVJNDWIPQ-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[2-(2-ethylhexyl)phenyl]oxirane
CID 174317982
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1-(2-ethylhexyl)-2-methoxybenzene
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1,4-bis(2-ethylhexyl)-2,5-dimethylbenzene;1,4-dicyclohexyl-2,5-dimethylbenzene;1,4-dihexyl-2,5-dimethylbenzene;1,4-dimethyl-2,5-diphenylbenzene;2-hexyl-1,4-dimethylbenzene;1-hexyl-2,4,5-trimethylbenzene
CID 158425439
N-[(2-cyclopropylphenyl)methyl]octan-4-amine
CID 106023493
1-cyclopropyl-2-hexylbenzene
CID 172995295
3-(2-cyclobutylphenyl)-2-methylpropan-1-amine
CID 114606308
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CID 83836329

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-ethylhexyl)benzene?
The IUPAC name of 1-cyclohexyl-2-(2-ethylhexyl)benzene (CID 154130996) is 1-cyclohexyl-2-(2-ethylhexyl)benzene.
What is the SMILES notation for 1-cyclohexyl-2-(2-ethylhexyl)benzene?
The canonical SMILES for 1-cyclohexyl-2-(2-ethylhexyl)benzene is CCCCC(CC)Cc1ccccc1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-ethylhexyl)benzene?
The InChIKey is BMUCIUVJNDWIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32/c1-3-5-11-17(4-2)16-19-14-9-10-15-20(19)18-12-7-6-8-13-18/h9-10,14-15,17-18H,3-8,11-13,16H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-(2-ethylhexyl)benzene?
1-cyclohexyl-2-(2-ethylhexyl)benzene has a molecular weight of 272.48 g/mol, XLogP of 6.49, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-ethylhexyl)benzene is sourced from PubChem (CID 154130996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).