3-ethyl-4-methylbicyclo[2.1.0]pent-1(5)-ene

C8H12 — CID 123544854

IUPAC3-ethyl-4-methylbicyclo[2.1.0]pent-1(5)-ene
SMILESCCC1CC2=CC21C
InChIInChI=1S/C8H12/c1-3-6-4-7-5-8(6,7)2/h5-6H,3-4H2,1-2H3
InChIKeyMXMKPAYGLUTKGQ-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.36
Rot. Bonds1

About 3-ethyl-4-methylbicyclo[2.1.0]pent-1(5)-ene

3-ethyl-4-methylbicyclo[2.1.0]pent-1(5)-ene (PubChem CID 123544854) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 3-ethyl-4-methylbicyclo[2.1.0]pent-1(5)-ene.

Molecular Properties

Compound Name3-ethyl-4-methylbicyclo[2.1.0]pent-1(5)-ene
PubChem CID123544854
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name3-ethyl-4-methylbicyclo[2.1.0]pent-1(5)-ene
SMILESCCC1CC2=CC21C
InChIInChI=1S/C8H12/c1-3-6-4-7-5-8(6,7)2/h5-6H,3-4H2,1-2H3
InChIKeyMXMKPAYGLUTKGQ-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

2,4-diethyl-1,1-dimethylcyclobutane;methane
CID 156895183
azane;2-ethyl-1,1-dimethylcyclobutane
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1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone
CID 89117681
cis-(2S,5S)-5-ethyl-2,4,4-trimethylcyclohexan-1-one
CID 131107477
2-ethyl-1,1,4-trimethylcyclobutane
CID 91404893
2,4-diethyl-3,3-dimethyl-6-methylideneoxane
CID 123458252
2,4-diethyl-1,1-dimethylcyclohexane
CID 143295937
3-ethyl-2,2-dimethylcyclopentan-1-one
CID 89158762
2-ethyl-1-(2-methoxyphenyl)cyclopropan-1-amine
CID 79332118
(2R)-2-ethyl-1,1-difluorocyclopropane
CID 123881327
2,5-diethyl-1,1-difluorocyclopentane
CID 20771103
CID 173483395
CID 173483395

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methylbicyclo[2.1.0]pent-1(5)-ene?
The IUPAC name of 3-ethyl-4-methylbicyclo[2.1.0]pent-1(5)-ene (CID 123544854) is 3-ethyl-4-methylbicyclo[2.1.0]pent-1(5)-ene.
What is the SMILES notation for 3-ethyl-4-methylbicyclo[2.1.0]pent-1(5)-ene?
The canonical SMILES for 3-ethyl-4-methylbicyclo[2.1.0]pent-1(5)-ene is CCC1CC2=CC21C.
What is the InChIKey of 3-ethyl-4-methylbicyclo[2.1.0]pent-1(5)-ene?
The InChIKey is MXMKPAYGLUTKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-3-6-4-7-5-8(6,7)2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-4-methylbicyclo[2.1.0]pent-1(5)-ene?
3-ethyl-4-methylbicyclo[2.1.0]pent-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 3-ethyl-4-methylbicyclo[2.1.0]pent-1(5)-ene is sourced from PubChem (CID 123544854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).