5-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene

C12H12 — CID 142275224

IUPAC5-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene
SMILESCC1=CC=CC2=CC1C=CC=C2
InChIInChI=1S/C12H12/c1-10-5-4-7-11-6-2-3-8-12(10)9-11/h2-9,12H,1H3
InChIKeyKFEPCCOEYLCQIT-UHFFFAOYSA-N
MW156.23 g/mol
LogP3.17
Rot. Bonds

About 5-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene

5-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene (PubChem CID 142275224) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is 5-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene.

Molecular Properties

Compound Name5-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene
PubChem CID142275224
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name5-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene
SMILESCC1=CC=CC2=CC1C=CC=C2
InChIInChI=1S/C12H12/c1-10-5-4-7-11-6-2-3-8-12(10)9-11/h2-9,12H,1H3
InChIKeyKFEPCCOEYLCQIT-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene 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

2-bicyclo[4.4.1]undeca-2,4,6(11),7,9-pentaenylmethanamine
CID 142131681
4-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene
CID 142131498
dimethyl-bis(2-methyl-3aH-inden-1-yl)silane
CID 20725133
1,5-dimethyl-4a,8a-dihydronaphthalene
CID 15555373
1,5-dimethyl-4aH-benzo[7]annulene
CID 91554041
7,8-dimethyl-7-azabicyclo[4.3.1]deca-1(10),2,4,8-tetraene
CID 143104049
5-cyclopenta-2,4-dien-1-yl-1-methylcyclopenta-1,3-diene
CID 15153107
(1aS,3aR)-1,1,3-trimethyl-1a,3a-dihydrocyclopropa[a]naphthalene
CID 98043433
1,6-dimethyl-5-methylidenecyclohexa-1,3-diene
CID 141384688
difluorozirconium;1,5-dimethylcyclopenta-1,3-diene
CID 174427609
2,4-dimethyl-3aH-indole
CID 139306317
(2-methylcyclopenta-2,4-dien-1-yl)silane
CID 150982672

Frequently Asked Questions

What is the IUPAC name of 5-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene?
The IUPAC name of 5-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene (CID 142275224) is 5-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene.
What is the SMILES notation for 5-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene?
The canonical SMILES for 5-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene is CC1=CC=CC2=CC1C=CC=C2.
What is the InChIKey of 5-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene?
The InChIKey is KFEPCCOEYLCQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-10-5-4-7-11-6-2-3-8-12(10)9-11/h2-9,12H,1H3.
What are the key properties of 5-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene?
5-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene has a molecular weight of 156.23 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene is sourced from PubChem (CID 142275224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).