5-ethyl-2-methylbicyclo[2.1.0]pent-1-ene

C8H12 — CID 123810815

IUPAC5-ethyl-2-methylbicyclo[2.1.0]pent-1-ene
SMILESCCC1C2=C(C)CC21
InChIInChI=1S/C8H12/c1-3-6-7-4-5(2)8(6)7/h6-7H,3-4H2,1-2H3
InChIKeyPXOWHKZQXULSJP-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.36
Rot. Bonds1

About 5-ethyl-2-methylbicyclo[2.1.0]pent-1-ene

5-ethyl-2-methylbicyclo[2.1.0]pent-1-ene (PubChem CID 123810815) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 5-ethyl-2-methylbicyclo[2.1.0]pent-1-ene.

Molecular Properties

Compound Name5-ethyl-2-methylbicyclo[2.1.0]pent-1-ene
PubChem CID123810815
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name5-ethyl-2-methylbicyclo[2.1.0]pent-1-ene
SMILESCCC1C2=C(C)CC21
InChIInChI=1S/C8H12/c1-3-6-7-4-5(2)8(6)7/h6-7H,3-4H2,1-2H3
InChIKeyPXOWHKZQXULSJP-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.36
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 5-ethyl-2-methylbicyclo[2.1.0]pent-1-ene?
The IUPAC name of 5-ethyl-2-methylbicyclo[2.1.0]pent-1-ene (CID 123810815) is 5-ethyl-2-methylbicyclo[2.1.0]pent-1-ene.
What is the SMILES notation for 5-ethyl-2-methylbicyclo[2.1.0]pent-1-ene?
The canonical SMILES for 5-ethyl-2-methylbicyclo[2.1.0]pent-1-ene is CCC1C2=C(C)CC21.
What is the InChIKey of 5-ethyl-2-methylbicyclo[2.1.0]pent-1-ene?
The InChIKey is PXOWHKZQXULSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-3-6-7-4-5(2)8(6)7/h6-7H,3-4H2,1-2H3.
What are the key properties of 5-ethyl-2-methylbicyclo[2.1.0]pent-1-ene?
5-ethyl-2-methylbicyclo[2.1.0]pent-1-ene has a molecular weight of 108.18 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methylbicyclo[2.1.0]pent-1-ene is sourced from PubChem (CID 123810815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).