1-ethyl-2,3-dimethoxy-4-methyl-7-oxabicyclo[2.2.1]hept-2-ene

C11H18O3 — CID 70361937

IUPAC1-ethyl-2,3-dimethoxy-4-methyl-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCCC12CCC(C)(O1)C(OC)=C2OC
InChIInChI=1S/C11H18O3/c1-5-11-7-6-10(2,14-11)8(12-3)9(11)13-4/h5-7H2,1-4H3
InChIKeyULVIBDQXVAMLKR-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.22
Rot. Bonds3

About 1-ethyl-2,3-dimethoxy-4-methyl-7-oxabicyclo[2.2.1]hept-2-ene

1-ethyl-2,3-dimethoxy-4-methyl-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 70361937) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethoxy-4-methyl-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1-ethyl-2,3-dimethoxy-4-methyl-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID70361937
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-ethyl-2,3-dimethoxy-4-methyl-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCCC12CCC(C)(O1)C(OC)=C2OC
InChIInChI=1S/C11H18O3/c1-5-11-7-6-10(2,14-11)8(12-3)9(11)13-4/h5-7H2,1-4H3
InChIKeyULVIBDQXVAMLKR-UHFFFAOYSA-N
XLogP2.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-2,3-dimethoxy-4-methyl-7-oxabicyclo[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 1-ethyl-2,3-dimethoxy-4-methyl-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1-ethyl-2,3-dimethoxy-4-methyl-7-oxabicyclo[2.2.1]hept-2-ene (CID 70361937) is 1-ethyl-2,3-dimethoxy-4-methyl-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1-ethyl-2,3-dimethoxy-4-methyl-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1-ethyl-2,3-dimethoxy-4-methyl-7-oxabicyclo[2.2.1]hept-2-ene is CCC12CCC(C)(O1)C(OC)=C2OC.
What is the InChIKey of 1-ethyl-2,3-dimethoxy-4-methyl-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is ULVIBDQXVAMLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-5-11-7-6-10(2,14-11)8(12-3)9(11)13-4/h5-7H2,1-4H3.
What are the key properties of 1-ethyl-2,3-dimethoxy-4-methyl-7-oxabicyclo[2.2.1]hept-2-ene?
1-ethyl-2,3-dimethoxy-4-methyl-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 198.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethoxy-4-methyl-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 70361937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).