2,3-dimethylbicyclo[1.1.0]but-1-ene

C6H8 — CID 91367923

IUPAC2,3-dimethylbicyclo[1.1.0]but-1-ene
SMILESCC1=C2CC12C
InChIInChI=1S/C6H8/c1-4-5-3-6(4,5)2/h3H2,1-2H3
InChIKeyZSZIIPZSHDPNTD-UHFFFAOYSA-N
MW80.13 g/mol
LogP1.73
Rot. Bonds

About 2,3-dimethylbicyclo[1.1.0]but-1-ene

2,3-dimethylbicyclo[1.1.0]but-1-ene (PubChem CID 91367923) has the molecular formula C6H8 and a molecular weight of 80.13 g/mol. Its IUPAC name is 2,3-dimethylbicyclo[1.1.0]but-1-ene.

Molecular Properties

Compound Name2,3-dimethylbicyclo[1.1.0]but-1-ene
PubChem CID91367923
Molecular FormulaC6H8
Molecular Weight80.13 g/mol
Exact Mass80.06
IUPAC Name2,3-dimethylbicyclo[1.1.0]but-1-ene
SMILESCC1=C2CC12C
InChIInChI=1S/C6H8/c1-4-5-3-6(4,5)2/h3H2,1-2H3
InChIKeyZSZIIPZSHDPNTD-UHFFFAOYSA-N
XLogP1.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.13
LogP ≤ 51.73
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

Tetramethylcyclopropene
CID 141282
(2Z)-1-ethyl-2-(2-ethyl-2-methylcyclopropylidene)-1-methylcyclopropane
CID 134993582
4-Methylspiro[2,3]hex-4-ene
CID 102391250
1-Ethyl-1-methyl-2-propan-2-ylidenecyclopropane
CID 56629080
1-Methyl-1-(3-methylpent-2-en-2-yl)cyclopropane
CID 123461658
2,3,4-Trimethylbicyclo[1.1.0]but-1-ene
CID 123860644
2-Methyl-5-methylidenespiro[2.2]pent-1-ene
CID 123925400
2-Methylspiro[2.2]pent-1-ene
CID 123942912
2,4-Dimethylbicyclo[2.1.0]pent-1-ene
CID 123970908
1-Ethyl-1-methyl-2-pentan-2-ylidenecyclopropane
CID 173434122
1,1-Diethyl-2-propan-2-ylidenecyclopropane
CID 174037835
1-(1-Cyclopropylideneethyl)-1-methylcyclopropane
CID 12567930

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbicyclo[1.1.0]but-1-ene?
The IUPAC name of 2,3-dimethylbicyclo[1.1.0]but-1-ene (CID 91367923) is 2,3-dimethylbicyclo[1.1.0]but-1-ene.
What is the SMILES notation for 2,3-dimethylbicyclo[1.1.0]but-1-ene?
The canonical SMILES for 2,3-dimethylbicyclo[1.1.0]but-1-ene is CC1=C2CC12C.
What is the InChIKey of 2,3-dimethylbicyclo[1.1.0]but-1-ene?
The InChIKey is ZSZIIPZSHDPNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8/c1-4-5-3-6(4,5)2/h3H2,1-2H3.
What are the key properties of 2,3-dimethylbicyclo[1.1.0]but-1-ene?
2,3-dimethylbicyclo[1.1.0]but-1-ene has a molecular weight of 80.13 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbicyclo[1.1.0]but-1-ene is sourced from PubChem (CID 91367923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).