2,3,4-trimethylbicyclo[1.1.0]but-1-ene

C7H10 — CID 123860644

IUPAC2,3,4-trimethylbicyclo[1.1.0]but-1-ene
SMILESCC1=C2C(C)C12C
InChIInChI=1S/C7H10/c1-4-6-5(2)7(4,6)3/h4H,1-3H3
InChIKeyOIYINVPSNPRJGU-UHFFFAOYSA-N
MW94.16 g/mol
LogP1.97
Rot. Bonds

About 2,3,4-trimethylbicyclo[1.1.0]but-1-ene

2,3,4-trimethylbicyclo[1.1.0]but-1-ene (PubChem CID 123860644) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is 2,3,4-trimethylbicyclo[1.1.0]but-1-ene.

Molecular Properties

Compound Name2,3,4-trimethylbicyclo[1.1.0]but-1-ene
PubChem CID123860644
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name2,3,4-trimethylbicyclo[1.1.0]but-1-ene
SMILESCC1=C2C(C)C12C
InChIInChI=1S/C7H10/c1-4-6-5(2)7(4,6)3/h4H,1-3H3
InChIKeyOIYINVPSNPRJGU-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylbicyclo[1.1.0]but-1-ene?
The IUPAC name of 2,3,4-trimethylbicyclo[1.1.0]but-1-ene (CID 123860644) is 2,3,4-trimethylbicyclo[1.1.0]but-1-ene.
What is the SMILES notation for 2,3,4-trimethylbicyclo[1.1.0]but-1-ene?
The canonical SMILES for 2,3,4-trimethylbicyclo[1.1.0]but-1-ene is CC1=C2C(C)C12C.
What is the InChIKey of 2,3,4-trimethylbicyclo[1.1.0]but-1-ene?
The InChIKey is OIYINVPSNPRJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-4-6-5(2)7(4,6)3/h4H,1-3H3.
What are the key properties of 2,3,4-trimethylbicyclo[1.1.0]but-1-ene?
2,3,4-trimethylbicyclo[1.1.0]but-1-ene has a molecular weight of 94.16 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylbicyclo[1.1.0]but-1-ene is sourced from PubChem (CID 123860644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).