3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane

C13H22 — CID 163966943

IUPAC3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane
SMILESC=CC1CCC2(C)CCC(C)(C1)C2
InChIInChI=1S/C13H22/c1-4-11-5-6-12(2)7-8-13(3,9-11)10-12/h4,11H,1,5-10H2,2-3H3
InChIKeySMPMVQUBURRMMJ-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.17
Rot. Bonds1

About 3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane

3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane (PubChem CID 163966943) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane
PubChem CID163966943
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane
SMILESC=CC1CCC2(C)CCC(C)(C1)C2
InChIInChI=1S/C13H22/c1-4-11-5-6-12(2)7-8-13(3,9-11)10-12/h4,11H,1,5-10H2,2-3H3
InChIKeySMPMVQUBURRMMJ-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-ethenyl-1,6-dimethylbicyclo[4.2.1]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

cis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine
CID 89155214
4-ethenyl-1,1,2,2-tetramethylcyclopentane
CID 143472488
3-ethenyl-1-(4-ethenyl-7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane
CID 87630475
7-ethenyl-2,2-difluorospiro[3.5]nonane
CID 178020956
1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane
CID 143368961
4-ethenyl-2,2-dimethylpyrrolidine
CID 145126401
7-ethenyl-1,4-dioxaspiro[4.5]decane
CID 69192706
1,1-ditert-butyl-2-ethenylcyclopropane
CID 59716985
4,7,9,12-tetramethyltetracyclo[7.3.1.14,12.02,7]tetradecane
CID 91570284
cis-(1S,3S)-N-tert-butyl-3-ethenyl-1-methylcyclohexane-1-carboxamide
CID 158423097
9-ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane
CID 14172406
(2-ethenyl-1-methylcyclobutyl)silane
CID 173136645

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane?
The IUPAC name of 3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane (CID 163966943) is 3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane.
What is the SMILES notation for 3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane?
The canonical SMILES for 3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane is C=CC1CCC2(C)CCC(C)(C1)C2.
What is the InChIKey of 3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane?
The InChIKey is SMPMVQUBURRMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-4-11-5-6-12(2)7-8-13(3,9-11)10-12/h4,11H,1,5-10H2,2-3H3.
What are the key properties of 3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane?
3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane has a molecular weight of 178.32 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,6-dimethylbicyclo[4.2.1]nonane is sourced from PubChem (CID 163966943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).