4-ethyl-4,5-dimethyltricyclo[3.1.0.02,6]hex-2-ene

C10H14 — CID 163982944

IUPAC4-ethyl-4,5-dimethyltricyclo[3.1.0.02,6]hex-2-ene
SMILESCCC1(C)C=C2C3C2C31C
InChIInChI=1S/C10H14/c1-4-9(2)5-6-7-8(6)10(7,9)3/h5,7-8H,4H2,1-3H3
InChIKeySZYOOYIGVZMVIN-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.61
Rot. Bonds1

About 4-ethyl-4,5-dimethyltricyclo[3.1.0.02,6]hex-2-ene

4-ethyl-4,5-dimethyltricyclo[3.1.0.02,6]hex-2-ene (PubChem CID 163982944) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 4-ethyl-4,5-dimethyltricyclo[3.1.0.02,6]hex-2-ene.

Molecular Properties

Compound Name4-ethyl-4,5-dimethyltricyclo[3.1.0.02,6]hex-2-ene
PubChem CID163982944
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name4-ethyl-4,5-dimethyltricyclo[3.1.0.02,6]hex-2-ene
SMILESCCC1(C)C=C2C3C2C31C
InChIInChI=1S/C10H14/c1-4-9(2)5-6-7-8(6)10(7,9)3/h5,7-8H,4H2,1-3H3
InChIKeySZYOOYIGVZMVIN-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-ethyl-4,5-dimethyltricyclo[3.1.0.02,6]hex-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4,5-dimethyltricyclo[3.1.0.02,6]hex-2-ene?
The IUPAC name of 4-ethyl-4,5-dimethyltricyclo[3.1.0.02,6]hex-2-ene (CID 163982944) is 4-ethyl-4,5-dimethyltricyclo[3.1.0.02,6]hex-2-ene.
What is the SMILES notation for 4-ethyl-4,5-dimethyltricyclo[3.1.0.02,6]hex-2-ene?
The canonical SMILES for 4-ethyl-4,5-dimethyltricyclo[3.1.0.02,6]hex-2-ene is CCC1(C)C=C2C3C2C31C.
What is the InChIKey of 4-ethyl-4,5-dimethyltricyclo[3.1.0.02,6]hex-2-ene?
The InChIKey is SZYOOYIGVZMVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-4-9(2)5-6-7-8(6)10(7,9)3/h5,7-8H,4H2,1-3H3.
What are the key properties of 4-ethyl-4,5-dimethyltricyclo[3.1.0.02,6]hex-2-ene?
4-ethyl-4,5-dimethyltricyclo[3.1.0.02,6]hex-2-ene has a molecular weight of 134.22 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-ethyl-4,5-dimethyltricyclo[3.1.0.02,6]hex-2-ene is sourced from PubChem (CID 163982944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).