methyl 2-(2-methoxy-2-oxoethyl)-5-oxo-1-[(Z)-pent-2-enyl]cyclopentane-1-carboxylate

C15H22O5 — CID 15659838

IUPACmethyl 2-(2-methoxy-2-oxoethyl)-5-oxo-1-[(Z)-pent-2-enyl]cyclopentane-1-carboxylate
SMILESCC/C=C\CC1(C(=O)OC)C(=O)CCC1CC(=O)OC
InChIInChI=1S/C15H22O5/c1-4-5-6-9-15(14(18)20-3)11(7-8-12(15)16)10-13(17)19-2/h5-6,11H,4,7-10H2,1-3H3/b6-5-
InChIKeyFMTXKVXRYSGWOI-WAYWQWQTSA-N
MW282.34 g/mol
LogP2.04
Rot. Bonds6

About methyl 2-(2-methoxy-2-oxoethyl)-5-oxo-1-[(Z)-pent-2-enyl]cyclopentane-1-carboxylate

methyl 2-(2-methoxy-2-oxoethyl)-5-oxo-1-[(Z)-pent-2-enyl]cyclopentane-1-carboxylate (PubChem CID 15659838) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 2-(2-methoxy-2-oxoethyl)-5-oxo-1-[(Z)-pent-2-enyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methoxy-2-oxoethyl)-5-oxo-1-[(Z)-pent-2-enyl]cyclopentane-1-carboxylate
PubChem CID15659838
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Namemethyl 2-(2-methoxy-2-oxoethyl)-5-oxo-1-[(Z)-pent-2-enyl]cyclopentane-1-carboxylate
SMILESCC/C=C\CC1(C(=O)OC)C(=O)CCC1CC(=O)OC
InChIInChI=1S/C15H22O5/c1-4-5-6-9-15(14(18)20-3)11(7-8-12(15)16)10-13(17)19-2/h5-6,11H,4,7-10H2,1-3H3/b6-5-
InChIKeyFMTXKVXRYSGWOI-WAYWQWQTSA-N
XLogP2.04
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxy-2-oxoethyl)-5-oxo-1-[(Z)-pent-2-enyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(2-methoxy-2-oxoethyl)-5-oxo-1-[(Z)-pent-2-enyl]cyclopentane-1-carboxylate (CID 15659838) is methyl 2-(2-methoxy-2-oxoethyl)-5-oxo-1-[(Z)-pent-2-enyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(2-methoxy-2-oxoethyl)-5-oxo-1-[(Z)-pent-2-enyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(2-methoxy-2-oxoethyl)-5-oxo-1-[(Z)-pent-2-enyl]cyclopentane-1-carboxylate is CC/C=C\CC1(C(=O)OC)C(=O)CCC1CC(=O)OC.
What is the InChIKey of methyl 2-(2-methoxy-2-oxoethyl)-5-oxo-1-[(Z)-pent-2-enyl]cyclopentane-1-carboxylate?
The InChIKey is FMTXKVXRYSGWOI-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H22O5/c1-4-5-6-9-15(14(18)20-3)11(7-8-12(15)16)10-13(17)19-2/h5-6,11H,4,7-10H2,1-3H3/b6-5-.
What are the key properties of methyl 2-(2-methoxy-2-oxoethyl)-5-oxo-1-[(Z)-pent-2-enyl]cyclopentane-1-carboxylate?
methyl 2-(2-methoxy-2-oxoethyl)-5-oxo-1-[(Z)-pent-2-enyl]cyclopentane-1-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxy-2-oxoethyl)-5-oxo-1-[(Z)-pent-2-enyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 15659838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).