5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-2-ene

C12H20O — CID 59748077

IUPAC5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-2-ene
SMILESCCC1C2C=CC(C2)C1CCOC
InChIInChI=1S/C12H20O/c1-3-11-9-4-5-10(8-9)12(11)6-7-13-2/h4-5,9-12H,3,6-8H2,1-2H3
InChIKeyCYDOUFPSUCUZKM-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.87
Rot. Bonds4

About 5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-2-ene

5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 59748077) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID59748077
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-2-ene
SMILESCCC1C2C=CC(C2)C1CCOC
InChIInChI=1S/C12H20O/c1-3-11-9-4-5-10(8-9)12(11)6-7-13-2/h4-5,9-12H,3,6-8H2,1-2H3
InChIKeyCYDOUFPSUCUZKM-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-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 5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-2-ene (CID 59748077) is 5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-2-ene is CCC1C2C=CC(C2)C1CCOC.
What is the InChIKey of 5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is CYDOUFPSUCUZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-3-11-9-4-5-10(8-9)12(11)6-7-13-2/h4-5,9-12H,3,6-8H2,1-2H3.
What are the key properties of 5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-2-ene?
5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 180.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 59748077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).