methyl (5R)-5-(2-methoxy-2-oxoethyl)cyclopentene-1-carboxylate

C10H14O4 — CID 11117011

IUPACmethyl (5R)-5-(2-methoxy-2-oxoethyl)cyclopentene-1-carboxylate
SMILESCOC(=O)C[C@H]1CCC=C1C(=O)OC
InChIInChI=1S/C10H14O4/c1-13-9(11)6-7-4-3-5-8(7)10(12)14-2/h5,7H,3-4,6H2,1-2H3/t7-/m1/s1
InChIKeySYJJRMWIPNIBQD-SSDOTTSWSA-N
MW198.22 g/mol
LogP1.06
Rot. Bonds3

About methyl (5R)-5-(2-methoxy-2-oxoethyl)cyclopentene-1-carboxylate

methyl (5R)-5-(2-methoxy-2-oxoethyl)cyclopentene-1-carboxylate (PubChem CID 11117011) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl (5R)-5-(2-methoxy-2-oxoethyl)cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl (5R)-5-(2-methoxy-2-oxoethyl)cyclopentene-1-carboxylate
PubChem CID11117011
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namemethyl (5R)-5-(2-methoxy-2-oxoethyl)cyclopentene-1-carboxylate
SMILESCOC(=O)C[C@H]1CCC=C1C(=O)OC
InChIInChI=1S/C10H14O4/c1-13-9(11)6-7-4-3-5-8(7)10(12)14-2/h5,7H,3-4,6H2,1-2H3/t7-/m1/s1
InChIKeySYJJRMWIPNIBQD-SSDOTTSWSA-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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Vibralactone S
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Methyl bicyclo(2.2.1)hepta-2,5-diene-2-carboxylate
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Diethyl cyclopent-3-ene-1,3-dicarboxylate
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Dimethyl cyclopent-2-ene-1,2-dicarboxylate
CID 14936178
Methyl 5,5-dimethylcyclopent-1-ene-1-carboxylate
CID 10329481
methyl (3aS,6aS)-3-oxo-1,3a,4,6a-tetrahydrocyclopenta[c]furan-6-carboxylate
CID 639166
triethyl (1R,2R)-cyclopent-3-ene-1,2,3-tricarboxylate
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Ethyl 4-acetylcyclopentene-1-carboxylate
CID 10442335

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-5-(2-methoxy-2-oxoethyl)cyclopentene-1-carboxylate?
The IUPAC name of methyl (5R)-5-(2-methoxy-2-oxoethyl)cyclopentene-1-carboxylate (CID 11117011) is methyl (5R)-5-(2-methoxy-2-oxoethyl)cyclopentene-1-carboxylate.
What is the SMILES notation for methyl (5R)-5-(2-methoxy-2-oxoethyl)cyclopentene-1-carboxylate?
The canonical SMILES for methyl (5R)-5-(2-methoxy-2-oxoethyl)cyclopentene-1-carboxylate is COC(=O)C[C@H]1CCC=C1C(=O)OC.
What is the InChIKey of methyl (5R)-5-(2-methoxy-2-oxoethyl)cyclopentene-1-carboxylate?
The InChIKey is SYJJRMWIPNIBQD-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14O4/c1-13-9(11)6-7-4-3-5-8(7)10(12)14-2/h5,7H,3-4,6H2,1-2H3/t7-/m1/s1.
What are the key properties of methyl (5R)-5-(2-methoxy-2-oxoethyl)cyclopentene-1-carboxylate?
methyl (5R)-5-(2-methoxy-2-oxoethyl)cyclopentene-1-carboxylate 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 methyl (5R)-5-(2-methoxy-2-oxoethyl)cyclopentene-1-carboxylate is sourced from PubChem (CID 11117011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).