9-propan-2-ylidenebicyclo[6.1.0]nonane

C12H20 — CID 534869

IUPAC9-propan-2-ylidenebicyclo[6.1.0]nonane
SMILESCC(C)=C1C2CCCCCCC12
InChIInChI=1S/C12H20/c1-9(2)12-10-7-5-3-4-6-8-11(10)12/h10-11H,3-8H2,1-2H3
InChIKeyQJTJAUTVGXPXTR-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.92
Rot. Bonds

About 9-propan-2-ylidenebicyclo[6.1.0]nonane

9-propan-2-ylidenebicyclo[6.1.0]nonane (PubChem CID 534869) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 9-propan-2-ylidenebicyclo[6.1.0]nonane.

Molecular Properties

Compound Name9-propan-2-ylidenebicyclo[6.1.0]nonane
PubChem CID534869
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name9-propan-2-ylidenebicyclo[6.1.0]nonane
SMILESCC(C)=C1C2CCCCCCC12
InChIInChI=1S/C12H20/c1-9(2)12-10-7-5-3-4-6-8-11(10)12/h10-11H,3-8H2,1-2H3
InChIKeyQJTJAUTVGXPXTR-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-propan-2-ylidenebicyclo[6.1.0]nonane 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

9-Cyclopropylidenebicyclo[6.1.0]nonane
CID 15438127
Tricyclo[7,1,0,0 2,4]dec-2-ene
CID 129740908
1-(Isopropylidenecyclopropyl)hexane
CID 32479
8-(1-Methylethylidene)bicyclo(5.1.0)octane
CID 535068
1-Hexyl-2,3-dimethylcyclopropene
CID 13509990
2-(2,5-Dimethyloctan-4-ylidene)-1,1-dimethylcyclopropane
CID 90923865
2,3-Dimethyl-1-propylcyclooctene
CID 91061584
1-Ethyl-3-methyl-2-pentan-2-ylcyclopropene
CID 91094087
1,3-Dimethyl-2-pentylcyclopropene
CID 91125319
1-(2,3-Dimethylhept-2-enyl)-2-propylcyclopropane
CID 91156237
5-Ethyloctan-3-ylidenecyclopropane
CID 91162099
1-(4-Methylhex-3-en-3-yl)-2-propan-2-ylcyclopropane
CID 91304691

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-ylidenebicyclo[6.1.0]nonane?
The IUPAC name of 9-propan-2-ylidenebicyclo[6.1.0]nonane (CID 534869) is 9-propan-2-ylidenebicyclo[6.1.0]nonane.
What is the SMILES notation for 9-propan-2-ylidenebicyclo[6.1.0]nonane?
The canonical SMILES for 9-propan-2-ylidenebicyclo[6.1.0]nonane is CC(C)=C1C2CCCCCCC12.
What is the InChIKey of 9-propan-2-ylidenebicyclo[6.1.0]nonane?
The InChIKey is QJTJAUTVGXPXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-9(2)12-10-7-5-3-4-6-8-11(10)12/h10-11H,3-8H2,1-2H3.
What are the key properties of 9-propan-2-ylidenebicyclo[6.1.0]nonane?
9-propan-2-ylidenebicyclo[6.1.0]nonane has a molecular weight of 164.29 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-ylidenebicyclo[6.1.0]nonane is sourced from PubChem (CID 534869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).