2-ethylidenebicyclo[2.2.0]hexane

C8H12 — CID 123670014

IUPAC2-ethylidenebicyclo[2.2.0]hexane
SMILESCC=C1CC2CCC12
InChIInChI=1S/C8H12/c1-2-6-5-7-3-4-8(6)7/h2,7-8H,3-5H2,1H3
InChIKeyQDZDWXWRIQORSX-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.36
Rot. Bonds

About 2-ethylidenebicyclo[2.2.0]hexane

2-ethylidenebicyclo[2.2.0]hexane (PubChem CID 123670014) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 2-ethylidenebicyclo[2.2.0]hexane.

Molecular Properties

Compound Name2-ethylidenebicyclo[2.2.0]hexane
PubChem CID123670014
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name2-ethylidenebicyclo[2.2.0]hexane
SMILESCC=C1CC2CCC12
InChIInChI=1S/C8H12/c1-2-6-5-7-3-4-8(6)7/h2,7-8H,3-5H2,1H3
InChIKeyQDZDWXWRIQORSX-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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 2-ethylidenebicyclo[2.2.0]hexane?
The IUPAC name of 2-ethylidenebicyclo[2.2.0]hexane (CID 123670014) is 2-ethylidenebicyclo[2.2.0]hexane.
What is the SMILES notation for 2-ethylidenebicyclo[2.2.0]hexane?
The canonical SMILES for 2-ethylidenebicyclo[2.2.0]hexane is CC=C1CC2CCC12.
What is the InChIKey of 2-ethylidenebicyclo[2.2.0]hexane?
The InChIKey is QDZDWXWRIQORSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-2-6-5-7-3-4-8(6)7/h2,7-8H,3-5H2,1H3.
What are the key properties of 2-ethylidenebicyclo[2.2.0]hexane?
2-ethylidenebicyclo[2.2.0]hexane has a molecular weight of 108.18 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidenebicyclo[2.2.0]hexane is sourced from PubChem (CID 123670014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).