(2-ethyl-2-methylbutyl)benzene

C13H20 — CID 123641908

IUPAC(2-ethyl-2-methylbutyl)benzene
SMILESCCC(C)(CC)Cc1ccccc1
InChIInChI=1S/C13H20/c1-4-13(3,5-2)11-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3
InChIKeyUPKHOGHWUCFMOA-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.06
Rot. Bonds4

About (2-ethyl-2-methylbutyl)benzene

(2-ethyl-2-methylbutyl)benzene (PubChem CID 123641908) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is (2-ethyl-2-methylbutyl)benzene.

Molecular Properties

Compound Name(2-ethyl-2-methylbutyl)benzene
PubChem CID123641908
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name(2-ethyl-2-methylbutyl)benzene
SMILESCCC(C)(CC)Cc1ccccc1
InChIInChI=1S/C13H20/c1-4-13(3,5-2)11-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3
InChIKeyUPKHOGHWUCFMOA-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

azane;2,2-dimethylbutylbenzene
CID 175285583
(5-benzyl-5-methylheptan-3-yl)benzene
CID 91404994
2,2-difluorobutylbenzene
CID 12695736
[2-methyl-3-methylsulfanyl-2-(methylsulfanylmethyl)propyl]benzene
CID 23432766
2,2-dimethylpropylbenzene;methanol
CID 157125736
(2-fluoro-2-methylpropyl)benzene
CID 14343442
2-benzyl-2-methylbutanenitrile
CID 65377862
2,2-dimethylpentylbenzene
CID 15727699
azane;3-benzylpentan-3-ol
CID 173295411
propylbenzene;hydrobromide
CID 70024036
2-benzyl-2-methylbutanoate
CID 53446573
(2-methyl-1,3-diphenylpropan-2-yl)azanium chloride
CID 110174053

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-methylbutyl)benzene?
The IUPAC name of (2-ethyl-2-methylbutyl)benzene (CID 123641908) is (2-ethyl-2-methylbutyl)benzene.
What is the SMILES notation for (2-ethyl-2-methylbutyl)benzene?
The canonical SMILES for (2-ethyl-2-methylbutyl)benzene is CCC(C)(CC)Cc1ccccc1.
What is the InChIKey of (2-ethyl-2-methylbutyl)benzene?
The InChIKey is UPKHOGHWUCFMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-4-13(3,5-2)11-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3.
What are the key properties of (2-ethyl-2-methylbutyl)benzene?
(2-ethyl-2-methylbutyl)benzene has a molecular weight of 176.30 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-methylbutyl)benzene is sourced from PubChem (CID 123641908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).