ethyl (4R)-2-oxo-4-prop-2-enyloxolane-3-carboxylate

C10H14O4 — CID 23583034

IUPACethyl (4R)-2-oxo-4-prop-2-enyloxolane-3-carboxylate
SMILESC=CC[C@H]1COC(=O)C1C(=O)OCC
InChIInChI=1S/C10H14O4/c1-3-5-7-6-14-10(12)8(7)9(11)13-4-2/h3,7-8H,1,4-6H2,2H3/t7-,8?/m0/s1
InChIKeyCRRMRMCAAWOEQK-JAMMHHFISA-N
MW198.22 g/mol
LogP0.91
Rot. Bonds4

About ethyl (4R)-2-oxo-4-prop-2-enyloxolane-3-carboxylate

ethyl (4R)-2-oxo-4-prop-2-enyloxolane-3-carboxylate (PubChem CID 23583034) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is ethyl (4R)-2-oxo-4-prop-2-enyloxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-2-oxo-4-prop-2-enyloxolane-3-carboxylate
PubChem CID23583034
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Nameethyl (4R)-2-oxo-4-prop-2-enyloxolane-3-carboxylate
SMILESC=CC[C@H]1COC(=O)C1C(=O)OCC
InChIInChI=1S/C10H14O4/c1-3-5-7-6-14-10(12)8(7)9(11)13-4-2/h3,7-8H,1,4-6H2,2H3/t7-,8?/m0/s1
InChIKeyCRRMRMCAAWOEQK-JAMMHHFISA-N
XLogP0.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 594682
alpha-Aceto-beta-vinyl-gamma-valerolactone
CID 160676
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CID 13003954
Diethyl (2-methylpent-4-en-2-yl)propanedioate
CID 13119652
AG-H-16646
CID 4618796
Diethyl 2-hex-1-en-3-ylpropanedioate
CID 10911711
3-Furancarboxylic acid, 5-ethenyltetrahydro-2-oxo-, methyl ester
CID 11708129
Ethyl 5-methyl-2-oxo-3-(prop-2-en-1-yl)oxolane-3-carboxylate
CID 12378187
Diethyl 2-(2-methylhexa-4,5-dien-3-yl)propanedioate
CID 12814262
gamma-Methyl-beta-(1-ethoxyvinyl)-alpha-ethoxycarbonyl-gamma-butyrolactone
CID 13837790
Diethyl (hepta-1,6-dien-4-yl)propanedioate
CID 15946222
ethyl (3R,5R)-5-ethenyl-2-oxooxolane-3-carboxylate
CID 51400825

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-2-oxo-4-prop-2-enyloxolane-3-carboxylate?
The IUPAC name of ethyl (4R)-2-oxo-4-prop-2-enyloxolane-3-carboxylate (CID 23583034) is ethyl (4R)-2-oxo-4-prop-2-enyloxolane-3-carboxylate.
What is the SMILES notation for ethyl (4R)-2-oxo-4-prop-2-enyloxolane-3-carboxylate?
The canonical SMILES for ethyl (4R)-2-oxo-4-prop-2-enyloxolane-3-carboxylate is C=CC[C@H]1COC(=O)C1C(=O)OCC.
What is the InChIKey of ethyl (4R)-2-oxo-4-prop-2-enyloxolane-3-carboxylate?
The InChIKey is CRRMRMCAAWOEQK-JAMMHHFISA-N. The full InChI is InChI=1S/C10H14O4/c1-3-5-7-6-14-10(12)8(7)9(11)13-4-2/h3,7-8H,1,4-6H2,2H3/t7-,8?/m0/s1.
What are the key properties of ethyl (4R)-2-oxo-4-prop-2-enyloxolane-3-carboxylate?
ethyl (4R)-2-oxo-4-prop-2-enyloxolane-3-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-2-oxo-4-prop-2-enyloxolane-3-carboxylate is sourced from PubChem (CID 23583034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).