dimethyl 4-ethylcyclopentene-1,2-dicarboxylate

C11H16O4 — CID 11469909

IUPACdimethyl 4-ethylcyclopentene-1,2-dicarboxylate
SMILESCCC1CC(C(=O)OC)=C(C(=O)OC)C1
InChIInChI=1S/C11H16O4/c1-4-7-5-8(10(12)14-2)9(6-7)11(13)15-3/h7H,4-6H2,1-3H3
InChIKeyMSBCJRUUEZCUNG-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.45
Rot. Bonds3

About dimethyl 4-ethylcyclopentene-1,2-dicarboxylate

dimethyl 4-ethylcyclopentene-1,2-dicarboxylate (PubChem CID 11469909) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is dimethyl 4-ethylcyclopentene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-ethylcyclopentene-1,2-dicarboxylate
PubChem CID11469909
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namedimethyl 4-ethylcyclopentene-1,2-dicarboxylate
SMILESCCC1CC(C(=O)OC)=C(C(=O)OC)C1
InChIInChI=1S/C11H16O4/c1-4-7-5-8(10(12)14-2)9(6-7)11(13)15-3/h7H,4-6H2,1-3H3
InChIKeyMSBCJRUUEZCUNG-UHFFFAOYSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dimethyl 4-ethylcyclopentene-1,2-dicarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

1,3-Isobenzofurandione, tetrahydro-5-methyl-
CID 118131
1-Cyclohexene-1-carboxylic acid, 2-ethyl-3,6,6-trimethyl-, ethyl ester
CID 175609
2-Hexyl-3-methylmaleic anhydride
CID 11127184
Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate
CID 4453437
(4S,10R)-10-Ethyl-5,9,10,11-tetrahydro-4-propyl-1H-cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone
CID 164723
Dimethyl bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylate
CID 136763
Methyl (4S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate
CID 14159029
1-Cyclohexene-1,2-dicarboxylic acid, 1,2-dimethyl ester
CID 78039
Cyclohexene-1,2-dicarboxylic acid, bis(2-ethylhexyl) ester
CID 94201
Ethyl 2-methylcyclopent-1-ene-1-carboxylate
CID 13416667
Dimethyl bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 304405
3-Methyl-4-pentylfuran-2,5-dione
CID 76319690

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-ethylcyclopentene-1,2-dicarboxylate?
The IUPAC name of dimethyl 4-ethylcyclopentene-1,2-dicarboxylate (CID 11469909) is dimethyl 4-ethylcyclopentene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-ethylcyclopentene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4-ethylcyclopentene-1,2-dicarboxylate is CCC1CC(C(=O)OC)=C(C(=O)OC)C1.
What is the InChIKey of dimethyl 4-ethylcyclopentene-1,2-dicarboxylate?
The InChIKey is MSBCJRUUEZCUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-7-5-8(10(12)14-2)9(6-7)11(13)15-3/h7H,4-6H2,1-3H3.
What are the key properties of dimethyl 4-ethylcyclopentene-1,2-dicarboxylate?
dimethyl 4-ethylcyclopentene-1,2-dicarboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-ethylcyclopentene-1,2-dicarboxylate is sourced from PubChem (CID 11469909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).