[2-(cyclohexylmethyl)-3-methylbutyl]benzene

C18H28 — CID 54237378

IUPAC[2-(cyclohexylmethyl)-3-methylbutyl]benzene
SMILESCC(C)C(Cc1ccccc1)CC1CCCCC1
InChIInChI=1S/C18H28/c1-15(2)18(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3,5-6,9-10,15,17-18H,4,7-8,11-14H2,1-2H3
InChIKeyANUOLQVCRCUUAT-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.47
Rot. Bonds5

About [2-(cyclohexylmethyl)-3-methylbutyl]benzene

[2-(cyclohexylmethyl)-3-methylbutyl]benzene (PubChem CID 54237378) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is [2-(cyclohexylmethyl)-3-methylbutyl]benzene.

Molecular Properties

Compound Name[2-(cyclohexylmethyl)-3-methylbutyl]benzene
PubChem CID54237378
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name[2-(cyclohexylmethyl)-3-methylbutyl]benzene
SMILESCC(C)C(Cc1ccccc1)CC1CCCCC1
InChIInChI=1S/C18H28/c1-15(2)18(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3,5-6,9-10,15,17-18H,4,7-8,11-14H2,1-2H3
InChIKeyANUOLQVCRCUUAT-UHFFFAOYSA-N
XLogP5.47
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 ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-benzyl-3-methylbutyl)cyclopentan-1-ol
CID 57078644
1-cycloheptyl-N-methyl-3-phenylpropan-2-amine
CID 114458143
(2-benzyl-3-methylbutyl)benzene
CID 22277918
2-cyclohexylpropylbenzene
CID 15846297
2-benzyl-3-cyclohexylpropan-1-ol
CID 66060213
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118
2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene
CID 57064736
[(2S)-2-ethyl-3-methylbutyl]benzene
CID 59911229
N-(cyclopentylmethyl)-1-phenylpropan-2-amine
CID 63012592
N-benzyl-1-cyclopentylpropan-2-amine
CID 71379591
[3-(2-cyclohexylethyl)-4-methyl-1-phenylpentan-2-yl]benzene
CID 54333330
(2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid
CID 122037865

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethyl)-3-methylbutyl]benzene?
The IUPAC name of [2-(cyclohexylmethyl)-3-methylbutyl]benzene (CID 54237378) is [2-(cyclohexylmethyl)-3-methylbutyl]benzene.
What is the SMILES notation for [2-(cyclohexylmethyl)-3-methylbutyl]benzene?
The canonical SMILES for [2-(cyclohexylmethyl)-3-methylbutyl]benzene is CC(C)C(Cc1ccccc1)CC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethyl)-3-methylbutyl]benzene?
The InChIKey is ANUOLQVCRCUUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-15(2)18(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3,5-6,9-10,15,17-18H,4,7-8,11-14H2,1-2H3.
What are the key properties of [2-(cyclohexylmethyl)-3-methylbutyl]benzene?
[2-(cyclohexylmethyl)-3-methylbutyl]benzene has a molecular weight of 244.42 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethyl)-3-methylbutyl]benzene is sourced from PubChem (CID 54237378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).