2-methylidenebutylbenzene

C11H14 — CID 10964655

IUPAC2-methylidenebutylbenzene
SMILESC=C(CC)Cc1ccccc1
InChIInChI=1S/C11H14/c1-3-10(2)9-11-7-5-4-6-8-11/h4-8H,2-3,9H2,1H3
InChIKeyIRHYGDKERVGHIR-UHFFFAOYSA-N
MW146.23 g/mol
LogP3.20
Rot. Bonds3

About 2-methylidenebutylbenzene

2-methylidenebutylbenzene (PubChem CID 10964655) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-methylidenebutylbenzene.

Molecular Properties

Compound Name2-methylidenebutylbenzene
PubChem CID10964655
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name2-methylidenebutylbenzene
SMILESC=C(CC)Cc1ccccc1
InChIInChI=1S/C11H14/c1-3-10(2)9-11-7-5-4-6-8-11/h4-8H,2-3,9H2,1H3
InChIKeyIRHYGDKERVGHIR-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methylidenebutylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-(2-methylidenebutyl)benzene
CID 123760109
1-fluoro-4-(2-methylidenebutyl)benzene
CID 91243133
3-benzylbut-3-en-1-ol
CID 22764430
3-phenylprop-1-en-2-ylboronic acid
CID 139035247
trimethyl(3-phenylprop-1-en-2-yl)silane
CID 530293
N-(2-benzylprop-2-enyl)-N-methylacetamide
CID 91265277
5-benzyl-3-methylhex-5-en-2-one
CID 59397011
N-ethyl-5-methylidene-1-phenylheptan-3-amine
CID 66038507
diethyl 2-(2-benzylprop-2-enyl)-2-methylpropanedioate
CID 15439087
sodium;2-benzylprop-2-enoic acid;hydride
CID 174441336
1-ethoxyethenyl 2-phenylacetate
CID 11264222
bis(3-methylbutan-2-yl)-(3-phenylprop-1-en-2-yl)borane
CID 134903913

Frequently Asked Questions

What is the IUPAC name of 2-methylidenebutylbenzene?
The IUPAC name of 2-methylidenebutylbenzene (CID 10964655) is 2-methylidenebutylbenzene.
What is the SMILES notation for 2-methylidenebutylbenzene?
The canonical SMILES for 2-methylidenebutylbenzene is C=C(CC)Cc1ccccc1.
What is the InChIKey of 2-methylidenebutylbenzene?
The InChIKey is IRHYGDKERVGHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-3-10(2)9-11-7-5-4-6-8-11/h4-8H,2-3,9H2,1H3.
What are the key properties of 2-methylidenebutylbenzene?
2-methylidenebutylbenzene has a molecular weight of 146.23 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenebutylbenzene is sourced from PubChem (CID 10964655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).