2,2-dimethylpentylbenzene

C13H20 — CID 15727699

IUPAC2,2-dimethylpentylbenzene
SMILESCCCC(C)(C)Cc1ccccc1
InChIInChI=1S/C13H20/c1-4-10-13(2,3)11-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3
InChIKeyQTSKATIWFSZYRU-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.06
Rot. Bonds4

About 2,2-dimethylpentylbenzene

2,2-dimethylpentylbenzene (PubChem CID 15727699) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 2,2-dimethylpentylbenzene.

Molecular Properties

Compound Name2,2-dimethylpentylbenzene
PubChem CID15727699
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name2,2-dimethylpentylbenzene
SMILESCCCC(C)(C)Cc1ccccc1
InChIInChI=1S/C13H20/c1-4-10-13(2,3)11-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3
InChIKeyQTSKATIWFSZYRU-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
(5,5,5-trifluoro-2,2-dimethylpentyl)benzene
CID 70815571
1-phenylpentane-2,2-diol
CID 56635388
(2,2-dimethyl-4-phenoxybutyl)benzene
CID 145278687
2,2-bis(chloromethyl)pentylbenzene
CID 79447192
3-benzylhexan-3-amine
CID 79007389
(2-methyl-1,3-diphenylpropan-2-yl)azanium chloride
CID 110174053
(2-ethyl-2-methylbutyl)benzene
CID 123641908
(4,4-difluoro-2,2-dimethylpentyl)benzene
CID 155030658
N,N-dibenzyl-2-methyl-1-phenylhexan-2-amine
CID 164668380
2-benzyl-2-propylpropanediamide
CID 131715569
2-amino-2-benzylpentanoic acid
CID 24974249

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpentylbenzene?
The IUPAC name of 2,2-dimethylpentylbenzene (CID 15727699) is 2,2-dimethylpentylbenzene.
What is the SMILES notation for 2,2-dimethylpentylbenzene?
The canonical SMILES for 2,2-dimethylpentylbenzene is CCCC(C)(C)Cc1ccccc1.
What is the InChIKey of 2,2-dimethylpentylbenzene?
The InChIKey is QTSKATIWFSZYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-4-10-13(2,3)11-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3.
What are the key properties of 2,2-dimethylpentylbenzene?
2,2-dimethylpentylbenzene 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 2,2-dimethylpentylbenzene is sourced from PubChem (CID 15727699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).