2,3,6-trimethylbicyclo[4.1.0]hept-2-ene

C10H16 — CID 15652280

IUPAC2,3,6-trimethylbicyclo[4.1.0]hept-2-ene
SMILESCC1=C(C)C2CC2(C)CC1
InChIInChI=1S/C10H16/c1-7-4-5-10(3)6-9(10)8(7)2/h9H,4-6H2,1-3H3
InChIKeyIMBILXRXOMWGQF-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.14
Rot. Bonds

About 2,3,6-trimethylbicyclo[4.1.0]hept-2-ene

2,3,6-trimethylbicyclo[4.1.0]hept-2-ene (PubChem CID 15652280) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2,3,6-trimethylbicyclo[4.1.0]hept-2-ene.

Molecular Properties

Compound Name2,3,6-trimethylbicyclo[4.1.0]hept-2-ene
PubChem CID15652280
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2,3,6-trimethylbicyclo[4.1.0]hept-2-ene
SMILESCC1=C(C)C2CC2(C)CC1
InChIInChI=1S/C10H16/c1-7-4-5-10(3)6-9(10)8(7)2/h9H,4-6H2,1-3H3
InChIKeyIMBILXRXOMWGQF-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3,6-trimethylbicyclo[4.1.0]hept-2-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
1H-Cycloprop(e)azulene, 1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramethyl-, (1aR,4R,4aR,7bS)-
CID 521243
(-)-alpha-Gurjunene
CID 15560276
4-Carene, (1S,3R,6R)-(-)-
CID 530422
2-Carene
CID 79044
alpha-Himachalene
CID 520909
gamma-HIMACHALENE
CID 577062
beta-Himachalene
CID 11586487

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethylbicyclo[4.1.0]hept-2-ene?
The IUPAC name of 2,3,6-trimethylbicyclo[4.1.0]hept-2-ene (CID 15652280) is 2,3,6-trimethylbicyclo[4.1.0]hept-2-ene.
What is the SMILES notation for 2,3,6-trimethylbicyclo[4.1.0]hept-2-ene?
The canonical SMILES for 2,3,6-trimethylbicyclo[4.1.0]hept-2-ene is CC1=C(C)C2CC2(C)CC1.
What is the InChIKey of 2,3,6-trimethylbicyclo[4.1.0]hept-2-ene?
The InChIKey is IMBILXRXOMWGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-7-4-5-10(3)6-9(10)8(7)2/h9H,4-6H2,1-3H3.
What are the key properties of 2,3,6-trimethylbicyclo[4.1.0]hept-2-ene?
2,3,6-trimethylbicyclo[4.1.0]hept-2-ene has a molecular weight of 136.24 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethylbicyclo[4.1.0]hept-2-ene is sourced from PubChem (CID 15652280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).