dimethyl (2R,5R)-5-ethenyl-2-propan-2-yloxolane-3,3-dicarboxylate

C13H20O5 — CID 102410620

IUPACdimethyl (2R,5R)-5-ethenyl-2-propan-2-yloxolane-3,3-dicarboxylate
SMILESC=C[C@H]1CC(C(=O)OC)(C(=O)OC)[C@@H](C(C)C)O1
InChIInChI=1S/C13H20O5/c1-6-9-7-13(11(14)16-4,12(15)17-5)10(18-9)8(2)3/h6,8-10H,1,7H2,2-5H3/t9-,10+/m0/s1
InChIKeyWSESCMXPSKMCPK-VHSXEESVSA-N
MW256.30 g/mol
LogP1.32
Rot. Bonds4

About dimethyl (2R,5R)-5-ethenyl-2-propan-2-yloxolane-3,3-dicarboxylate

dimethyl (2R,5R)-5-ethenyl-2-propan-2-yloxolane-3,3-dicarboxylate (PubChem CID 102410620) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is dimethyl (2R,5R)-5-ethenyl-2-propan-2-yloxolane-3,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,5R)-5-ethenyl-2-propan-2-yloxolane-3,3-dicarboxylate
PubChem CID102410620
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Namedimethyl (2R,5R)-5-ethenyl-2-propan-2-yloxolane-3,3-dicarboxylate
SMILESC=C[C@H]1CC(C(=O)OC)(C(=O)OC)[C@@H](C(C)C)O1
InChIInChI=1S/C13H20O5/c1-6-9-7-13(11(14)16-4,12(15)17-5)10(18-9)8(2)3/h6,8-10H,1,7H2,2-5H3/t9-,10+/m0/s1
InChIKeyWSESCMXPSKMCPK-VHSXEESVSA-N
XLogP1.32
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.32
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 dimethyl (2R,5R)-5-ethenyl-2-propan-2-yloxolane-3,3-dicarboxylate?
The IUPAC name of dimethyl (2R,5R)-5-ethenyl-2-propan-2-yloxolane-3,3-dicarboxylate (CID 102410620) is dimethyl (2R,5R)-5-ethenyl-2-propan-2-yloxolane-3,3-dicarboxylate.
What is the SMILES notation for dimethyl (2R,5R)-5-ethenyl-2-propan-2-yloxolane-3,3-dicarboxylate?
The canonical SMILES for dimethyl (2R,5R)-5-ethenyl-2-propan-2-yloxolane-3,3-dicarboxylate is C=C[C@H]1CC(C(=O)OC)(C(=O)OC)[C@@H](C(C)C)O1.
What is the InChIKey of dimethyl (2R,5R)-5-ethenyl-2-propan-2-yloxolane-3,3-dicarboxylate?
The InChIKey is WSESCMXPSKMCPK-VHSXEESVSA-N. The full InChI is InChI=1S/C13H20O5/c1-6-9-7-13(11(14)16-4,12(15)17-5)10(18-9)8(2)3/h6,8-10H,1,7H2,2-5H3/t9-,10+/m0/s1.
What are the key properties of dimethyl (2R,5R)-5-ethenyl-2-propan-2-yloxolane-3,3-dicarboxylate?
dimethyl (2R,5R)-5-ethenyl-2-propan-2-yloxolane-3,3-dicarboxylate has a molecular weight of 256.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,5R)-5-ethenyl-2-propan-2-yloxolane-3,3-dicarboxylate is sourced from PubChem (CID 102410620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).