1-(2,2-dimethylpropyl)-2-methylbenzene

C12H18 — CID 21464495

IUPAC1-(2,2-dimethylpropyl)-2-methylbenzene
SMILESCc1ccccc1CC(C)(C)C
InChIInChI=1S/C12H18/c1-10-7-5-6-8-11(10)9-12(2,3)4/h5-8H,9H2,1-4H3
InChIKeyWRMXZKBOHIXDKO-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.58
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-2-methylbenzene

1-(2,2-dimethylpropyl)-2-methylbenzene (PubChem CID 21464495) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2-methylbenzene
PubChem CID21464495
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1-(2,2-dimethylpropyl)-2-methylbenzene
SMILESCc1ccccc1CC(C)(C)C
InChIInChI=1S/C12H18/c1-10-7-5-6-8-11(10)9-12(2,3)4/h5-8H,9H2,1-4H3
InChIKeyWRMXZKBOHIXDKO-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-2-methylbenzene?
The IUPAC name of 1-(2,2-dimethylpropyl)-2-methylbenzene (CID 21464495) is 1-(2,2-dimethylpropyl)-2-methylbenzene.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2-methylbenzene?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2-methylbenzene is Cc1ccccc1CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2-methylbenzene?
The InChIKey is WRMXZKBOHIXDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-10-7-5-6-8-11(10)9-12(2,3)4/h5-8H,9H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-2-methylbenzene?
1-(2,2-dimethylpropyl)-2-methylbenzene has a molecular weight of 162.28 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-2-methylbenzene is sourced from PubChem (CID 21464495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).