2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene

C12H18 — CID 12616171

IUPAC2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene
SMILESC=C1C(C)C2C=CC(C2)C1(C)C
InChIInChI=1S/C12H18/c1-8-9(2)12(3,4)11-6-5-10(8)7-11/h5-6,8,10-11H,2,7H2,1,3-4H3
InChIKeyQXFLTJHSDFGWNS-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.41
Rot. Bonds

About 2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene

2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene (PubChem CID 12616171) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene.

Molecular Properties

Compound Name2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene
PubChem CID12616171
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene
SMILESC=C1C(C)C2C=CC(C2)C1(C)C
InChIInChI=1S/C12H18/c1-8-9(2)12(3,4)11-6-5-10(8)7-11/h5-6,8,10-11H,2,7H2,1,3-4H3
InChIKeyQXFLTJHSDFGWNS-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene 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

(1S,2R,3R,4R)-2,3-dimethylbicyclo[2.2.1]hept-5-en-2-ol
CID 134875141
4,4-dimethyl-3-methylidene-2-azabicyclo[3.2.1]oct-6-ene
CID 147683657
2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol
CID 18622236
3,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride
CID 19102317
(1R,2R,3S,4S)-2,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 97303149
(1S,2S,3R,4R)-2,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 134923149
(1S,8R)-4,5-dimethoxy-2-methyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
CID 11459300
10-methylidenetricyclo[4.3.1.03,8]dec-4-ene
CID 121219171
(1R,2S,3S,4R)-2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
CID 98532182
(1S,2S,6S,7R)-2-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98044048
4,6-dimethylbicyclo[4.1.0]heptan-2-ol
CID 130126006
(2S,3R)-3-(hydroxymethyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 130884529

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene?
The IUPAC name of 2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene (CID 12616171) is 2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene.
What is the SMILES notation for 2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene?
The canonical SMILES for 2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene is C=C1C(C)C2C=CC(C2)C1(C)C.
What is the InChIKey of 2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene?
The InChIKey is QXFLTJHSDFGWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-8-9(2)12(3,4)11-6-5-10(8)7-11/h5-6,8,10-11H,2,7H2,1,3-4H3.
What are the key properties of 2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene?
2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene has a molecular weight of 162.28 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-3-methylidenebicyclo[3.2.1]oct-6-ene is sourced from PubChem (CID 12616171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).