4-ethylbicyclo[4.1.0]hept-2-ene

C9H14 — CID 23283002

IUPAC4-ethylbicyclo[4.1.0]hept-2-ene
SMILESCCC1C=CC2CC2C1
InChIInChI=1S/C9H14/c1-2-7-3-4-8-6-9(8)5-7/h3-4,7-9H,2,5-6H2,1H3
InChIKeyUPVJWLJMQGBAQI-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.61
Rot. Bonds1

About 4-ethylbicyclo[4.1.0]hept-2-ene

4-ethylbicyclo[4.1.0]hept-2-ene (PubChem CID 23283002) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 4-ethylbicyclo[4.1.0]hept-2-ene.

Molecular Properties

Compound Name4-ethylbicyclo[4.1.0]hept-2-ene
PubChem CID23283002
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name4-ethylbicyclo[4.1.0]hept-2-ene
SMILESCCC1C=CC2CC2C1
InChIInChI=1S/C9H14/c1-2-7-3-4-8-6-9(8)5-7/h3-4,7-9H,2,5-6H2,1H3
InChIKeyUPVJWLJMQGBAQI-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.61
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

3-Carene
CID 26049
(+)-3-Carene
CID 443156
(-)-3-Carene
CID 442461
2-Carene, (+)-
CID 78249
2-Carene
CID 79044
4-Carene, (1S,3R,6R)-(-)-
CID 530422
3-(2-Methylpropyl)cyclohex-1-ene
CID 20057
Cyclohexene, 3-propyl-
CID 138092
(1R,6S,7R)-3,7-Dimethyl-7-(4-methyl-3-penten-1-yl)bicyclo(4.1.0)hept-2-ene
CID 11074502
(3Z)-9-Methyl-3-undecene
CID 550666
cis-Bicyclo(4.1.0)hept-3-ene
CID 27923
3-Ethylcyclohex-1-ene
CID 137724

Frequently Asked Questions

What is the IUPAC name of 4-ethylbicyclo[4.1.0]hept-2-ene?
The IUPAC name of 4-ethylbicyclo[4.1.0]hept-2-ene (CID 23283002) is 4-ethylbicyclo[4.1.0]hept-2-ene.
What is the SMILES notation for 4-ethylbicyclo[4.1.0]hept-2-ene?
The canonical SMILES for 4-ethylbicyclo[4.1.0]hept-2-ene is CCC1C=CC2CC2C1.
What is the InChIKey of 4-ethylbicyclo[4.1.0]hept-2-ene?
The InChIKey is UPVJWLJMQGBAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-2-7-3-4-8-6-9(8)5-7/h3-4,7-9H,2,5-6H2,1H3.
What are the key properties of 4-ethylbicyclo[4.1.0]hept-2-ene?
4-ethylbicyclo[4.1.0]hept-2-ene has a molecular weight of 122.21 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylbicyclo[4.1.0]hept-2-ene is sourced from PubChem (CID 23283002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).