[2-ethyl-7-(methoxymethyl)-2-bicyclo[2.2.1]heptanyl] 2,4-dimethylcyclopentane-1-carboxylate

C19H32O3 — CID 20681893

IUPAC[2-ethyl-7-(methoxymethyl)-2-bicyclo[2.2.1]heptanyl] 2,4-dimethylcyclopentane-1-carboxylate
SMILESCCC1(OC(=O)C2CC(C)CC2C)CC2CCC1C2COC
InChIInChI=1S/C19H32O3/c1-5-19(10-14-6-7-17(19)16(14)11-21-4)22-18(20)15-9-12(2)8-13(15)3/h12-17H,5-11H2,1-4H3
InChIKeyCFDIKUSVKGGLLF-UHFFFAOYSA-N
MW308.46 g/mol
LogP4.05
Rot. Bonds5

About [2-ethyl-7-(methoxymethyl)-2-bicyclo[2.2.1]heptanyl] 2,4-dimethylcyclopentane-1-carboxylate

[2-ethyl-7-(methoxymethyl)-2-bicyclo[2.2.1]heptanyl] 2,4-dimethylcyclopentane-1-carboxylate (PubChem CID 20681893) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is [2-ethyl-7-(methoxymethyl)-2-bicyclo[2.2.1]heptanyl] 2,4-dimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-ethyl-7-(methoxymethyl)-2-bicyclo[2.2.1]heptanyl] 2,4-dimethylcyclopentane-1-carboxylate
PubChem CID20681893
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name[2-ethyl-7-(methoxymethyl)-2-bicyclo[2.2.1]heptanyl] 2,4-dimethylcyclopentane-1-carboxylate
SMILESCCC1(OC(=O)C2CC(C)CC2C)CC2CCC1C2COC
InChIInChI=1S/C19H32O3/c1-5-19(10-14-6-7-17(19)16(14)11-21-4)22-18(20)15-9-12(2)8-13(15)3/h12-17H,5-11H2,1-4H3
InChIKeyCFDIKUSVKGGLLF-UHFFFAOYSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-ethyl-7-(methoxymethyl)-2-bicyclo[2.2.1]heptanyl] 2,4-dimethylcyclopentane-1-carboxylate 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 [2-ethyl-7-(methoxymethyl)-2-bicyclo[2.2.1]heptanyl] 2,4-dimethylcyclopentane-1-carboxylate?
The IUPAC name of [2-ethyl-7-(methoxymethyl)-2-bicyclo[2.2.1]heptanyl] 2,4-dimethylcyclopentane-1-carboxylate (CID 20681893) is [2-ethyl-7-(methoxymethyl)-2-bicyclo[2.2.1]heptanyl] 2,4-dimethylcyclopentane-1-carboxylate.
What is the SMILES notation for [2-ethyl-7-(methoxymethyl)-2-bicyclo[2.2.1]heptanyl] 2,4-dimethylcyclopentane-1-carboxylate?
The canonical SMILES for [2-ethyl-7-(methoxymethyl)-2-bicyclo[2.2.1]heptanyl] 2,4-dimethylcyclopentane-1-carboxylate is CCC1(OC(=O)C2CC(C)CC2C)CC2CCC1C2COC.
What is the InChIKey of [2-ethyl-7-(methoxymethyl)-2-bicyclo[2.2.1]heptanyl] 2,4-dimethylcyclopentane-1-carboxylate?
The InChIKey is CFDIKUSVKGGLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O3/c1-5-19(10-14-6-7-17(19)16(14)11-21-4)22-18(20)15-9-12(2)8-13(15)3/h12-17H,5-11H2,1-4H3.
What are the key properties of [2-ethyl-7-(methoxymethyl)-2-bicyclo[2.2.1]heptanyl] 2,4-dimethylcyclopentane-1-carboxylate?
[2-ethyl-7-(methoxymethyl)-2-bicyclo[2.2.1]heptanyl] 2,4-dimethylcyclopentane-1-carboxylate has a molecular weight of 308.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-7-(methoxymethyl)-2-bicyclo[2.2.1]heptanyl] 2,4-dimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 20681893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).