2-methylpentan-2-ylbenzene

C12H18 — CID 16136

IUPAC2-methylpentan-2-ylbenzene
SMILESCCCC(C)(C)c1ccccc1
InChIInChI=1S/C12H18/c1-4-10-12(2,3)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
InChIKeyPIUUDKDOAUICQP-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.76
Rot. Bonds3

About 2-methylpentan-2-ylbenzene

2-methylpentan-2-ylbenzene (PubChem CID 16136) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2-methylpentan-2-ylbenzene.

Molecular Properties

Compound Name2-methylpentan-2-ylbenzene
PubChem CID16136
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name2-methylpentan-2-ylbenzene
SMILESCCCC(C)(C)c1ccccc1
InChIInChI=1S/C12H18/c1-4-10-12(2,3)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
InChIKeyPIUUDKDOAUICQP-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methylpentan-2-ylbenzene?
The IUPAC name of 2-methylpentan-2-ylbenzene (CID 16136) is 2-methylpentan-2-ylbenzene.
What is the SMILES notation for 2-methylpentan-2-ylbenzene?
The canonical SMILES for 2-methylpentan-2-ylbenzene is CCCC(C)(C)c1ccccc1.
What is the InChIKey of 2-methylpentan-2-ylbenzene?
The InChIKey is PIUUDKDOAUICQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-4-10-12(2,3)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3.
What are the key properties of 2-methylpentan-2-ylbenzene?
2-methylpentan-2-ylbenzene has a molecular weight of 162.28 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-2-ylbenzene is sourced from PubChem (CID 16136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).