2-ethylbicyclo[2.1.1]hex-1(5)-ene

C8H12 — CID 147706365

IUPAC2-ethylbicyclo[2.1.1]hex-1(5)-ene
SMILESCCC1CC2C=C1C2
InChIInChI=1S/C8H12/c1-2-7-3-6-4-8(7)5-6/h4,6-7H,2-3,5H2,1H3
InChIKeyMTBWYUPNVAZLIU-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.36
Rot. Bonds1

About 2-ethylbicyclo[2.1.1]hex-1(5)-ene

2-ethylbicyclo[2.1.1]hex-1(5)-ene (PubChem CID 147706365) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 2-ethylbicyclo[2.1.1]hex-1(5)-ene.

Molecular Properties

Compound Name2-ethylbicyclo[2.1.1]hex-1(5)-ene
PubChem CID147706365
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name2-ethylbicyclo[2.1.1]hex-1(5)-ene
SMILESCCC1CC2C=C1C2
InChIInChI=1S/C8H12/c1-2-7-3-6-4-8(7)5-6/h4,6-7H,2-3,5H2,1H3
InChIKeyMTBWYUPNVAZLIU-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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Related Compounds

7-ethyl-3-methylbicyclo[3.2.1]oct-1-ene
CID 123759085
1,3,5-triethylcyclopentene
CID 157204030
5,6-diethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene
CID 91208740
2,6-diethylbicyclo[3.2.0]hept-1(5)-ene
CID 159302327
2-ethyl-4-methylcyclopentan-1-one
CID 12501280
5-tert-butyl-3-ethylcyclohexane-1,2-dione
CID 146741917
3-ethyl-1,5-dimethylcyclohexene
CID 123667989
1-cyclobutyl-3-ethyl-4-methylcyclopentene
CID 163881123
3-ethyl-2,3,4,5,6,7-hexahydroinden-1-one
CID 130030063
3-ethyl-2,6-dimethylbicyclo[3.2.0]hept-1-ene
CID 123515175
2-ethyl-4-propan-2-ylcyclopentan-1-one
CID 154713281
1-ethyl-3-[(3-ethylcyclobutyl)methyl]cyclobutene
CID 143706373

Frequently Asked Questions

What is the IUPAC name of 2-ethylbicyclo[2.1.1]hex-1(5)-ene?
The IUPAC name of 2-ethylbicyclo[2.1.1]hex-1(5)-ene (CID 147706365) is 2-ethylbicyclo[2.1.1]hex-1(5)-ene.
What is the SMILES notation for 2-ethylbicyclo[2.1.1]hex-1(5)-ene?
The canonical SMILES for 2-ethylbicyclo[2.1.1]hex-1(5)-ene is CCC1CC2C=C1C2.
What is the InChIKey of 2-ethylbicyclo[2.1.1]hex-1(5)-ene?
The InChIKey is MTBWYUPNVAZLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-2-7-3-6-4-8(7)5-6/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 2-ethylbicyclo[2.1.1]hex-1(5)-ene?
2-ethylbicyclo[2.1.1]hex-1(5)-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 2-ethylbicyclo[2.1.1]hex-1(5)-ene is sourced from PubChem (CID 147706365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).