3-O-ethyl 1-O-methyl cyclopent-3-ene-1,3-dicarboxylate

C10H14O4 — CID 10081438

IUPAC3-O-ethyl 1-O-methyl cyclopent-3-ene-1,3-dicarboxylate
SMILESCCOC(=O)C1=CCC(C(=O)OC)C1
InChIInChI=1S/C10H14O4/c1-3-14-10(12)8-5-4-7(6-8)9(11)13-2/h5,7H,3-4,6H2,1-2H3
InChIKeyLMUZMFUNJPBBRX-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.06
Rot. Bonds3

About 3-O-ethyl 1-O-methyl cyclopent-3-ene-1,3-dicarboxylate

3-O-ethyl 1-O-methyl cyclopent-3-ene-1,3-dicarboxylate (PubChem CID 10081438) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-O-ethyl 1-O-methyl cyclopent-3-ene-1,3-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 1-O-methyl cyclopent-3-ene-1,3-dicarboxylate
PubChem CID10081438
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name3-O-ethyl 1-O-methyl cyclopent-3-ene-1,3-dicarboxylate
SMILESCCOC(=O)C1=CCC(C(=O)OC)C1
InChIInChI=1S/C10H14O4/c1-3-14-10(12)8-5-4-7(6-8)9(11)13-2/h5,7H,3-4,6H2,1-2H3
InChIKeyLMUZMFUNJPBBRX-UHFFFAOYSA-N
XLogP1.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-butyl-2(5H)-furanone
CID 11768654
Vibralactone L
CID 131849277
Vibralactone S
CID 132566490
(5S,S)-5-methyl-3-(2-methylbutyl)furan-2(5H)-one
CID 16090237
Vibralactone J
CID 139584520
Vibralactone Z3
CID 146684363
methyl 2-[(4R)-3-ethylidene-2-oxooxan-4-yl]acetate
CID 162989246
5-methyl-2-[(5-oxo-2H-uran-3-yl)methyl]hex-4-enoic acid
CID 163016860
Ethyl cyclopent-1-enecarboxylate
CID 275610
Diethyl cyclopent-2-ene-1,2-dicarboxylate
CID 10242278
Ethyl 5-acetylcyclopentene-1-carboxylate
CID 10329981
Diethyl cyclopent-3-ene-1,3-dicarboxylate
CID 14936175

Frequently Asked Questions

What is the IUPAC name of 3-O-ethyl 1-O-methyl cyclopent-3-ene-1,3-dicarboxylate?
The IUPAC name of 3-O-ethyl 1-O-methyl cyclopent-3-ene-1,3-dicarboxylate (CID 10081438) is 3-O-ethyl 1-O-methyl cyclopent-3-ene-1,3-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 1-O-methyl cyclopent-3-ene-1,3-dicarboxylate?
The canonical SMILES for 3-O-ethyl 1-O-methyl cyclopent-3-ene-1,3-dicarboxylate is CCOC(=O)C1=CCC(C(=O)OC)C1.
What is the InChIKey of 3-O-ethyl 1-O-methyl cyclopent-3-ene-1,3-dicarboxylate?
The InChIKey is LMUZMFUNJPBBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-14-10(12)8-5-4-7(6-8)9(11)13-2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 3-O-ethyl 1-O-methyl cyclopent-3-ene-1,3-dicarboxylate?
3-O-ethyl 1-O-methyl cyclopent-3-ene-1,3-dicarboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 1-O-methyl cyclopent-3-ene-1,3-dicarboxylate is sourced from PubChem (CID 10081438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).