2-methylprop-1-enylbenzene

C10H12 — CID 13030

IUPAC2-methylprop-1-enylbenzene
SMILESCC(C)=Cc1ccccc1
InChIInChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyBTOVVHWKPVSLBI-UHFFFAOYSA-N
MW132.21 g/mol
LogP3.11
Rot. Bonds1

About 2-methylprop-1-enylbenzene

2-methylprop-1-enylbenzene (PubChem CID 13030) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is 2-methylprop-1-enylbenzene.

Molecular Properties

Compound Name2-methylprop-1-enylbenzene
PubChem CID13030
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name2-methylprop-1-enylbenzene
SMILESCC(C)=Cc1ccccc1
InChIInChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKeyBTOVVHWKPVSLBI-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-enylbenzene?
The IUPAC name of 2-methylprop-1-enylbenzene (CID 13030) is 2-methylprop-1-enylbenzene.
What is the SMILES notation for 2-methylprop-1-enylbenzene?
The canonical SMILES for 2-methylprop-1-enylbenzene is CC(C)=Cc1ccccc1.
What is the InChIKey of 2-methylprop-1-enylbenzene?
The InChIKey is BTOVVHWKPVSLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-8H,1-2H3.
What are the key properties of 2-methylprop-1-enylbenzene?
2-methylprop-1-enylbenzene has a molecular weight of 132.21 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-enylbenzene is sourced from PubChem (CID 13030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).