2-methylbutan-2-ylbenzene

C11H16 — CID 16295

IUPAC2-methylbutan-2-ylbenzene
SMILESCCC(C)(C)c1ccccc1
InChIInChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChIKeyQHTJSSMHBLGUHV-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.37
Rot. Bonds2

About 2-methylbutan-2-ylbenzene

2-methylbutan-2-ylbenzene (PubChem CID 16295) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2-methylbutan-2-ylbenzene.

Molecular Properties

Compound Name2-methylbutan-2-ylbenzene
PubChem CID16295
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name2-methylbutan-2-ylbenzene
SMILESCCC(C)(C)c1ccccc1
InChIInChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChIKeyQHTJSSMHBLGUHV-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
P-Cymene
CID 7463
Indene
CID 7219
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-ylbenzene?
The IUPAC name of 2-methylbutan-2-ylbenzene (CID 16295) is 2-methylbutan-2-ylbenzene.
What is the SMILES notation for 2-methylbutan-2-ylbenzene?
The canonical SMILES for 2-methylbutan-2-ylbenzene is CCC(C)(C)c1ccccc1.
What is the InChIKey of 2-methylbutan-2-ylbenzene?
The InChIKey is QHTJSSMHBLGUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3.
What are the key properties of 2-methylbutan-2-ylbenzene?
2-methylbutan-2-ylbenzene has a molecular weight of 148.25 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-ylbenzene is sourced from PubChem (CID 16295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).