2,3-dimethylbicyclo[4.1.0]hept-2-ene

C9H14 — CID 142000413

IUPAC2,3-dimethylbicyclo[4.1.0]hept-2-ene
SMILESCC1=C(C)C2CC2CC1
InChIInChI=1S/C9H14/c1-6-3-4-8-5-9(8)7(6)2/h8-9H,3-5H2,1-2H3
InChIKeyDTRKRSAATLJHPI-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.75
Rot. Bonds

About 2,3-dimethylbicyclo[4.1.0]hept-2-ene

2,3-dimethylbicyclo[4.1.0]hept-2-ene (PubChem CID 142000413) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 2,3-dimethylbicyclo[4.1.0]hept-2-ene.

Molecular Properties

Compound Name2,3-dimethylbicyclo[4.1.0]hept-2-ene
PubChem CID142000413
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name2,3-dimethylbicyclo[4.1.0]hept-2-ene
SMILESCC1=C(C)C2CC2CC1
InChIInChI=1S/C9H14/c1-6-3-4-8-5-9(8)7(6)2/h8-9H,3-5H2,1-2H3
InChIKeyDTRKRSAATLJHPI-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'}

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Related Compounds

7-(1-Methylethylidene)bicyclo(4.1.0)heptane
CID 40707
1-Menthene
CID 25445
1,2,3-Trimethylcyclohex-1-ene
CID 12537123
4-Methyl-3-carene
CID 14029516
1,3,3-Trimethyl-2-(2-methyl-cyclopropyl)-cyclohexene
CID 595941
3-Methylbicyclo[4.1.0]hept-3-ene
CID 13026389
2-Methylbicyclo[4.1.0]hept-2-ene
CID 13347991
Tetramethyloctene
CID 18915868
1,2,4-Trimethylcyclohex-1-ene
CID 21676549
1,2,3,4,5,6-Hexamethylcyclohexene
CID 22892780
3-Methyl-2-norcarene
CID 23269081
Trimethylcycloheptene
CID 59796493

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbicyclo[4.1.0]hept-2-ene?
The IUPAC name of 2,3-dimethylbicyclo[4.1.0]hept-2-ene (CID 142000413) is 2,3-dimethylbicyclo[4.1.0]hept-2-ene.
What is the SMILES notation for 2,3-dimethylbicyclo[4.1.0]hept-2-ene?
The canonical SMILES for 2,3-dimethylbicyclo[4.1.0]hept-2-ene is CC1=C(C)C2CC2CC1.
What is the InChIKey of 2,3-dimethylbicyclo[4.1.0]hept-2-ene?
The InChIKey is DTRKRSAATLJHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-6-3-4-8-5-9(8)7(6)2/h8-9H,3-5H2,1-2H3.
What are the key properties of 2,3-dimethylbicyclo[4.1.0]hept-2-ene?
2,3-dimethylbicyclo[4.1.0]hept-2-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 2,3-dimethylbicyclo[4.1.0]hept-2-ene is sourced from PubChem (CID 142000413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).