(2-benzyl-3-methylbutyl)benzene

C18H22 — CID 22277918

IUPAC(2-benzyl-3-methylbutyl)benzene
SMILESCC(C)C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H22/c1-15(2)18(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3
InChIKeyUFACPBVJALJCIU-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.74
Rot. Bonds5

About (2-benzyl-3-methylbutyl)benzene

(2-benzyl-3-methylbutyl)benzene (PubChem CID 22277918) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2-benzyl-3-methylbutyl)benzene.

Molecular Properties

Compound Name(2-benzyl-3-methylbutyl)benzene
PubChem CID22277918
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name(2-benzyl-3-methylbutyl)benzene
SMILESCC(C)C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H22/c1-15(2)18(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3
InChIKeyUFACPBVJALJCIU-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(2S)-2-ethyl-3-methylbutyl]benzene
CID 59911229
2-benzyl-3-methylbutan-1-amine
CID 59900587
ethane;(2-ethyl-3-methylbutyl)benzene
CID 166139706
(4-methyl-2-propan-2-ylpentyl)benzene
CID 59105661
[(2R)-2-(methoxymethyl)-3-methylbutyl]benzene
CID 58977165
2,3-dimethylbutylbenzene
CID 12054035
4-benzyl-5-methylhexanenitrile
CID 67965044
2-benzyl-N,4-dimethyl-1-phenylpentan-3-amine
CID 79304006
4-benzyl-2-methylhexan-3-amine
CID 79299139
ethane;2-methylpropylbenzene
CID 162200929
[2-(cyclohexylmethyl)-3-methylbutyl]benzene
CID 54237378
N-(2-benzyl-3-methylbutyl)methanesulfonamide
CID 91651363

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-3-methylbutyl)benzene?
The IUPAC name of (2-benzyl-3-methylbutyl)benzene (CID 22277918) is (2-benzyl-3-methylbutyl)benzene.
What is the SMILES notation for (2-benzyl-3-methylbutyl)benzene?
The canonical SMILES for (2-benzyl-3-methylbutyl)benzene is CC(C)C(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2-benzyl-3-methylbutyl)benzene?
The InChIKey is UFACPBVJALJCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-15(2)18(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3.
What are the key properties of (2-benzyl-3-methylbutyl)benzene?
(2-benzyl-3-methylbutyl)benzene has a molecular weight of 238.37 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-3-methylbutyl)benzene is sourced from PubChem (CID 22277918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).