2-O-ethyl 1-O-methyl cyclopent-2-ene-1,2-dicarboxylate

C10H14O4 — CID 10442711

IUPAC2-O-ethyl 1-O-methyl cyclopent-2-ene-1,2-dicarboxylate
SMILESCCOC(=O)C1=CCCC1C(=O)OC
InChIInChI=1S/C10H14O4/c1-3-14-10(12)8-6-4-5-7(8)9(11)13-2/h6-7H,3-5H2,1-2H3
InChIKeyXKOGKDSVIWYMCW-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.06
Rot. Bonds3

About 2-O-ethyl 1-O-methyl cyclopent-2-ene-1,2-dicarboxylate

2-O-ethyl 1-O-methyl cyclopent-2-ene-1,2-dicarboxylate (PubChem CID 10442711) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-O-ethyl 1-O-methyl cyclopent-2-ene-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-ethyl 1-O-methyl cyclopent-2-ene-1,2-dicarboxylate
PubChem CID10442711
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name2-O-ethyl 1-O-methyl cyclopent-2-ene-1,2-dicarboxylate
SMILESCCOC(=O)C1=CCCC1C(=O)OC
InChIInChI=1S/C10H14O4/c1-3-14-10(12)8-6-4-5-7(8)9(11)13-2/h6-7H,3-5H2,1-2H3
InChIKeyXKOGKDSVIWYMCW-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

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Crassumolide C
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3-butyl-2(5H)-furanone
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(2S,3Z,7S)-3,7-dimethyl-2-[(3-methyl-5-oxo-2H-furan-4-yl)methyl]-2,5,6,7-tetrahydrooxocin-8-one
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(4E,6R,8S,9S)-6-ethoxy-5-methyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodeca-1(12),4-dien-11-one
CID 155516275
(4E,6R,8S,9S)-6-methoxy-5-methyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodeca-1(12),4-dien-11-one
CID 155525865
(4E,6R,8S,9S)-5-methyl-6-propan-2-yloxy-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodeca-1(12),4-dien-11-one
CID 155553821
5-Methyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodeca-1(12),4-dien-11-one
CID 5259885
(5S,S)-5-methyl-3-(2-methylbutyl)furan-2(5H)-one
CID 16090237
(4Z,8R,9R)-5-methyl-8-prop-1-en-2-yl-10-oxabicyclo[7.2.1]dodeca-1(12),4-dien-11-one
CID 101281337
methyl (3aS,6E,10E,14E,15aS)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 2-O-ethyl 1-O-methyl cyclopent-2-ene-1,2-dicarboxylate?
The IUPAC name of 2-O-ethyl 1-O-methyl cyclopent-2-ene-1,2-dicarboxylate (CID 10442711) is 2-O-ethyl 1-O-methyl cyclopent-2-ene-1,2-dicarboxylate.
What is the SMILES notation for 2-O-ethyl 1-O-methyl cyclopent-2-ene-1,2-dicarboxylate?
The canonical SMILES for 2-O-ethyl 1-O-methyl cyclopent-2-ene-1,2-dicarboxylate is CCOC(=O)C1=CCCC1C(=O)OC.
What is the InChIKey of 2-O-ethyl 1-O-methyl cyclopent-2-ene-1,2-dicarboxylate?
The InChIKey is XKOGKDSVIWYMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-14-10(12)8-6-4-5-7(8)9(11)13-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-O-ethyl 1-O-methyl cyclopent-2-ene-1,2-dicarboxylate?
2-O-ethyl 1-O-methyl cyclopent-2-ene-1,2-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 2-O-ethyl 1-O-methyl cyclopent-2-ene-1,2-dicarboxylate is sourced from PubChem (CID 10442711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).