2-ethyl-4-methylbicyclo[1.1.0]but-1-ene

C7H10 — CID 173118731

IUPAC2-ethyl-4-methylbicyclo[1.1.0]but-1-ene
SMILESCCC1=C2C(C)C12
InChIInChI=1S/C7H10/c1-3-5-6-4(2)7(5)6/h4,6H,3H2,1-2H3
InChIKeyYQTIBFZUEDQZTA-UHFFFAOYSA-N
MW94.16 g/mol
LogP1.97
Rot. Bonds1

About 2-ethyl-4-methylbicyclo[1.1.0]but-1-ene

2-ethyl-4-methylbicyclo[1.1.0]but-1-ene (PubChem CID 173118731) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is 2-ethyl-4-methylbicyclo[1.1.0]but-1-ene.

Molecular Properties

Compound Name2-ethyl-4-methylbicyclo[1.1.0]but-1-ene
PubChem CID173118731
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name2-ethyl-4-methylbicyclo[1.1.0]but-1-ene
SMILESCCC1=C2C(C)C12
InChIInChI=1S/C7H10/c1-3-5-6-4(2)7(5)6/h4,6H,3H2,1-2H3
InChIKeyYQTIBFZUEDQZTA-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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-ethyl-4-methylbicyclo[1.1.0]but-1-ene?
The IUPAC name of 2-ethyl-4-methylbicyclo[1.1.0]but-1-ene (CID 173118731) is 2-ethyl-4-methylbicyclo[1.1.0]but-1-ene.
What is the SMILES notation for 2-ethyl-4-methylbicyclo[1.1.0]but-1-ene?
The canonical SMILES for 2-ethyl-4-methylbicyclo[1.1.0]but-1-ene is CCC1=C2C(C)C12.
What is the InChIKey of 2-ethyl-4-methylbicyclo[1.1.0]but-1-ene?
The InChIKey is YQTIBFZUEDQZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-3-5-6-4(2)7(5)6/h4,6H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-methylbicyclo[1.1.0]but-1-ene?
2-ethyl-4-methylbicyclo[1.1.0]but-1-ene has a molecular weight of 94.16 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methylbicyclo[1.1.0]but-1-ene is sourced from PubChem (CID 173118731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).