2,3-dimethylbutylbenzene

C12H18 — CID 12054035

IUPAC2,3-dimethylbutylbenzene
SMILESCC(C)C(C)Cc1ccccc1
InChIInChI=1S/C12H18/c1-10(2)11(3)9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
InChIKeyDRKSSIVAGFUWBU-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.52
Rot. Bonds3

About 2,3-dimethylbutylbenzene

2,3-dimethylbutylbenzene (PubChem CID 12054035) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2,3-dimethylbutylbenzene.

Molecular Properties

Compound Name2,3-dimethylbutylbenzene
PubChem CID12054035
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name2,3-dimethylbutylbenzene
SMILESCC(C)C(C)Cc1ccccc1
InChIInChI=1S/C12H18/c1-10(2)11(3)9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
InChIKeyDRKSSIVAGFUWBU-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
(3-bromo-2,4-dimethylpentyl)benzene
CID 79298231
N,2,3-trimethyl-4-phenylbutan-1-amine
CID 81016315
(2-benzyl-3-methylbutyl)benzene
CID 22277918
1-(benzenesulfonyl)-4-(2,3-dimethylbutyl)benzene
CID 154955361
2-(1-phenylpropan-2-yldiselanyl)propylbenzene
CID 10430842
(3-bromo-3-chloro-2-methylpropyl)benzene
CID 69284055
[(2S,3S)-3-methoxy-2-methylbutyl]benzene
CID 166437023
ethane;2-methylpropylbenzene
CID 162200929
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020
N-ethyl-2,4-dimethyl-1-phenylpentan-3-amine
CID 79299268
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutylbenzene?
The IUPAC name of 2,3-dimethylbutylbenzene (CID 12054035) is 2,3-dimethylbutylbenzene.
What is the SMILES notation for 2,3-dimethylbutylbenzene?
The canonical SMILES for 2,3-dimethylbutylbenzene is CC(C)C(C)Cc1ccccc1.
What is the InChIKey of 2,3-dimethylbutylbenzene?
The InChIKey is DRKSSIVAGFUWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-10(2)11(3)9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 2,3-dimethylbutylbenzene?
2,3-dimethylbutylbenzene has a molecular weight of 162.28 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutylbenzene is sourced from PubChem (CID 12054035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).