diethyl (5R)-5-ethenyloxolane-3,3-dicarboxylate

C12H18O5 — CID 134938637

IUPACdiethyl (5R)-5-ethenyloxolane-3,3-dicarboxylate
SMILESC=C[C@H]1CC(C(=O)OCC)(C(=O)OCC)CO1
InChIInChI=1S/C12H18O5/c1-4-9-7-12(8-17-9,10(13)15-5-2)11(14)16-6-3/h4,9H,1,5-8H2,2-3H3/t9-/m0/s1
InChIKeyYWTDCKAKRFTGQX-VIFPVBQESA-N
MW242.27 g/mol
LogP1.07
Rot. Bonds5

About diethyl (5R)-5-ethenyloxolane-3,3-dicarboxylate

diethyl (5R)-5-ethenyloxolane-3,3-dicarboxylate (PubChem CID 134938637) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is diethyl (5R)-5-ethenyloxolane-3,3-dicarboxylate.

Molecular Properties

Compound Namediethyl (5R)-5-ethenyloxolane-3,3-dicarboxylate
PubChem CID134938637
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Namediethyl (5R)-5-ethenyloxolane-3,3-dicarboxylate
SMILESC=C[C@H]1CC(C(=O)OCC)(C(=O)OCC)CO1
InChIInChI=1S/C12H18O5/c1-4-9-7-12(8-17-9,10(13)15-5-2)11(14)16-6-3/h4,9H,1,5-8H2,2-3H3/t9-/m0/s1
InChIKeyYWTDCKAKRFTGQX-VIFPVBQESA-N
XLogP1.07
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.07
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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Related Compounds

AG-H-16646
CID 4618796
Diethyl 4-methylidene-2-propan-2-yloxolane-3,3-dicarboxylate
CID 11108412
3-Furancarboxylic acid, 5-ethenyltetrahydro-2-oxo-, methyl ester
CID 11708129
ethyl (2R,3R,5R)-5-ethenyl-2-[(E)-2-ethoxyethenyl]oxolane-3-carboxylate
CID 12194350
Ethyl 5-methyl-2-oxo-3-(prop-2-en-1-yl)oxolane-3-carboxylate
CID 12378187
Dimethyl 2-ethenyl-5-methylideneoxane-4,4-dicarboxylate
CID 44517914
ethyl (3R,5R)-5-ethenyl-2-oxooxolane-3-carboxylate
CID 51400825
Diethyl 2-(1-methoxyprop-2-enyl)-2-prop-2-enylpropanedioate
CID 134919019
Diethyl 2-methyl-4-methylideneoxolane-3,3-dicarboxylate
CID 134981048
methyl (3R,5R)-5-ethenyl-2-oxooxolane-3-carboxylate
CID 135068225
Ethyl 3-but-3-enyl-2-oxooxolane-3-carboxylate
CID 135072840
methyl (3R,5R)-5-ethenyl-3-methyl-2-oxooxolane-3-carboxylate
CID 135075423

Frequently Asked Questions

What is the IUPAC name of diethyl (5R)-5-ethenyloxolane-3,3-dicarboxylate?
The IUPAC name of diethyl (5R)-5-ethenyloxolane-3,3-dicarboxylate (CID 134938637) is diethyl (5R)-5-ethenyloxolane-3,3-dicarboxylate.
What is the SMILES notation for diethyl (5R)-5-ethenyloxolane-3,3-dicarboxylate?
The canonical SMILES for diethyl (5R)-5-ethenyloxolane-3,3-dicarboxylate is C=C[C@H]1CC(C(=O)OCC)(C(=O)OCC)CO1.
What is the InChIKey of diethyl (5R)-5-ethenyloxolane-3,3-dicarboxylate?
The InChIKey is YWTDCKAKRFTGQX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18O5/c1-4-9-7-12(8-17-9,10(13)15-5-2)11(14)16-6-3/h4,9H,1,5-8H2,2-3H3/t9-/m0/s1.
What are the key properties of diethyl (5R)-5-ethenyloxolane-3,3-dicarboxylate?
diethyl (5R)-5-ethenyloxolane-3,3-dicarboxylate has a molecular weight of 242.27 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (5R)-5-ethenyloxolane-3,3-dicarboxylate is sourced from PubChem (CID 134938637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).