2,6,6-trimethylbicyclo[3.1.0]hex-1-ene

C9H14 — CID 164667191

IUPAC2,6,6-trimethylbicyclo[3.1.0]hex-1-ene
SMILESCC1=C2C(CC1)C2(C)C
InChIInChI=1S/C9H14/c1-6-4-5-7-8(6)9(7,2)3/h7H,4-5H2,1-3H3
InChIKeyFUBUPCVFODRWBN-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.75
Rot. Bonds

About 2,6,6-trimethylbicyclo[3.1.0]hex-1-ene

2,6,6-trimethylbicyclo[3.1.0]hex-1-ene (PubChem CID 164667191) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 2,6,6-trimethylbicyclo[3.1.0]hex-1-ene.

Molecular Properties

Compound Name2,6,6-trimethylbicyclo[3.1.0]hex-1-ene
PubChem CID164667191
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name2,6,6-trimethylbicyclo[3.1.0]hex-1-ene
SMILESCC1=C2C(CC1)C2(C)C
InChIInChI=1S/C9H14/c1-6-4-5-7-8(6)9(7,2)3/h7H,4-5H2,1-3H3
InChIKeyFUBUPCVFODRWBN-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,6,6-trimethylbicyclo[3.1.0]hex-1-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

3-Carene
CID 26049
(+)-3-Carene
CID 443156
(-)-3-Carene
CID 442461
2-Carene, (+)-
CID 78249
alpha-Thujene
CID 17868
2-Carene
CID 79044
(-)-alpha-Thujene
CID 637518
Sesquithujene
CID 25147318
(1S,5S)-2-Methyl-5-((R)-6-methylhept-5-en-2-yl)bicyclo[3.1.0]hex-2-ene
CID 53439065
7-Epi-sesquithujene
CID 56927990
Isoledene
CID 530426
(1R,6S,7R)-3,7-Dimethyl-7-(4-methyl-3-penten-1-yl)bicyclo(4.1.0)hept-2-ene
CID 11074502

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethylbicyclo[3.1.0]hex-1-ene?
The IUPAC name of 2,6,6-trimethylbicyclo[3.1.0]hex-1-ene (CID 164667191) is 2,6,6-trimethylbicyclo[3.1.0]hex-1-ene.
What is the SMILES notation for 2,6,6-trimethylbicyclo[3.1.0]hex-1-ene?
The canonical SMILES for 2,6,6-trimethylbicyclo[3.1.0]hex-1-ene is CC1=C2C(CC1)C2(C)C.
What is the InChIKey of 2,6,6-trimethylbicyclo[3.1.0]hex-1-ene?
The InChIKey is FUBUPCVFODRWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-6-4-5-7-8(6)9(7,2)3/h7H,4-5H2,1-3H3.
What are the key properties of 2,6,6-trimethylbicyclo[3.1.0]hex-1-ene?
2,6,6-trimethylbicyclo[3.1.0]hex-1-ene has a molecular weight of 122.21 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethylbicyclo[3.1.0]hex-1-ene is sourced from PubChem (CID 164667191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).