methyl (4R)-4-ethenyl-2-hydroxy-2-(2-hydroxy-3-methylbutyl)-4-methyloxolane-3-carboxylate

C14H24O5 — CID 53306178

IUPACmethyl (4R)-4-ethenyl-2-hydroxy-2-(2-hydroxy-3-methylbutyl)-4-methyloxolane-3-carboxylate
SMILESC=C[C@@]1(C)COC(O)(CC(O)C(C)C)C1C(=O)OC
InChIInChI=1S/C14H24O5/c1-6-13(4)8-19-14(17,7-10(15)9(2)3)11(13)12(16)18-5/h6,9-11,15,17H,1,7-8H2,2-5H3/t10?,11?,13-,14?/m0/s1
InChIKeyGQYLYGGFUQMXTR-QHNNHONCSA-N
MW272.34 g/mol
LogP1.09
Rot. Bonds5

About methyl (4R)-4-ethenyl-2-hydroxy-2-(2-hydroxy-3-methylbutyl)-4-methyloxolane-3-carboxylate

methyl (4R)-4-ethenyl-2-hydroxy-2-(2-hydroxy-3-methylbutyl)-4-methyloxolane-3-carboxylate (PubChem CID 53306178) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl (4R)-4-ethenyl-2-hydroxy-2-(2-hydroxy-3-methylbutyl)-4-methyloxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-ethenyl-2-hydroxy-2-(2-hydroxy-3-methylbutyl)-4-methyloxolane-3-carboxylate
PubChem CID53306178
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Namemethyl (4R)-4-ethenyl-2-hydroxy-2-(2-hydroxy-3-methylbutyl)-4-methyloxolane-3-carboxylate
SMILESC=C[C@@]1(C)COC(O)(CC(O)C(C)C)C1C(=O)OC
InChIInChI=1S/C14H24O5/c1-6-13(4)8-19-14(17,7-10(15)9(2)3)11(13)12(16)18-5/h6,9-11,15,17H,1,7-8H2,2-5H3/t10?,11?,13-,14?/m0/s1
InChIKeyGQYLYGGFUQMXTR-QHNNHONCSA-N
XLogP1.09
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-ethenyl-2-hydroxy-2-(2-hydroxy-3-methylbutyl)-4-methyloxolane-3-carboxylate?
The IUPAC name of methyl (4R)-4-ethenyl-2-hydroxy-2-(2-hydroxy-3-methylbutyl)-4-methyloxolane-3-carboxylate (CID 53306178) is methyl (4R)-4-ethenyl-2-hydroxy-2-(2-hydroxy-3-methylbutyl)-4-methyloxolane-3-carboxylate.
What is the SMILES notation for methyl (4R)-4-ethenyl-2-hydroxy-2-(2-hydroxy-3-methylbutyl)-4-methyloxolane-3-carboxylate?
The canonical SMILES for methyl (4R)-4-ethenyl-2-hydroxy-2-(2-hydroxy-3-methylbutyl)-4-methyloxolane-3-carboxylate is C=C[C@@]1(C)COC(O)(CC(O)C(C)C)C1C(=O)OC.
What is the InChIKey of methyl (4R)-4-ethenyl-2-hydroxy-2-(2-hydroxy-3-methylbutyl)-4-methyloxolane-3-carboxylate?
The InChIKey is GQYLYGGFUQMXTR-QHNNHONCSA-N. The full InChI is InChI=1S/C14H24O5/c1-6-13(4)8-19-14(17,7-10(15)9(2)3)11(13)12(16)18-5/h6,9-11,15,17H,1,7-8H2,2-5H3/t10?,11?,13-,14?/m0/s1.
What are the key properties of methyl (4R)-4-ethenyl-2-hydroxy-2-(2-hydroxy-3-methylbutyl)-4-methyloxolane-3-carboxylate?
methyl (4R)-4-ethenyl-2-hydroxy-2-(2-hydroxy-3-methylbutyl)-4-methyloxolane-3-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-ethenyl-2-hydroxy-2-(2-hydroxy-3-methylbutyl)-4-methyloxolane-3-carboxylate is sourced from PubChem (CID 53306178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).