methyl 3-hydroxy-4,4-dimethyl-5-oxo-2,2-diphenyloxolane-3-carboxylate

C20H20O5 — CID 14077313

IUPACmethyl 3-hydroxy-4,4-dimethyl-5-oxo-2,2-diphenyloxolane-3-carboxylate
SMILESCOC(=O)C1(O)C(C)(C)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20O5/c1-18(2)16(21)25-19(14-10-6-4-7-11-14,15-12-8-5-9-13-15)20(18,23)17(22)24-3/h4-13,23H,1-3H3
InChIKeySRZOHQAEOPOSCG-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.42
Rot. Bonds3

About methyl 3-hydroxy-4,4-dimethyl-5-oxo-2,2-diphenyloxolane-3-carboxylate

methyl 3-hydroxy-4,4-dimethyl-5-oxo-2,2-diphenyloxolane-3-carboxylate (PubChem CID 14077313) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 3-hydroxy-4,4-dimethyl-5-oxo-2,2-diphenyloxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4,4-dimethyl-5-oxo-2,2-diphenyloxolane-3-carboxylate
PubChem CID14077313
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Namemethyl 3-hydroxy-4,4-dimethyl-5-oxo-2,2-diphenyloxolane-3-carboxylate
SMILESCOC(=O)C1(O)C(C)(C)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20O5/c1-18(2)16(21)25-19(14-10-6-4-7-11-14,15-12-8-5-9-13-15)20(18,23)17(22)24-3/h4-13,23H,1-3H3
InChIKeySRZOHQAEOPOSCG-UHFFFAOYSA-N
XLogP2.42
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl (2R,5S)-5-hydroxy-5-methyl-6-oxo-2-phenylpiperidine-2-carboxylate
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dimethyl 4-methoxy-5-oxo-2-phenylfuran-2,3-dicarboxylate
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methyl 2-ethyl-3-methyl-3-phenyloxirane-2-carboxylate
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methyl 3-(methoxymethyl)-2-methyl-3-phenyloxirane-2-carboxylate
CID 103466339
4,4,5,5-tetraphenyl-1,3-dioxolan-2-one
CID 86177862
methyl (2S,3R)-2-methyl-5-oxo-2-phenyloxolane-3-carboxylate
CID 102364670
methyl 5,5-dimethyl-2,3,4-triphenylbicyclo[2.1.0]pentane-1-carboxylate
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methyl (2R,3R)-3-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-2-phenyloxolane-3-carboxylate
CID 118720751

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4,4-dimethyl-5-oxo-2,2-diphenyloxolane-3-carboxylate?
The IUPAC name of methyl 3-hydroxy-4,4-dimethyl-5-oxo-2,2-diphenyloxolane-3-carboxylate (CID 14077313) is methyl 3-hydroxy-4,4-dimethyl-5-oxo-2,2-diphenyloxolane-3-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-4,4-dimethyl-5-oxo-2,2-diphenyloxolane-3-carboxylate?
The canonical SMILES for methyl 3-hydroxy-4,4-dimethyl-5-oxo-2,2-diphenyloxolane-3-carboxylate is COC(=O)C1(O)C(C)(C)C(=O)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-hydroxy-4,4-dimethyl-5-oxo-2,2-diphenyloxolane-3-carboxylate?
The InChIKey is SRZOHQAEOPOSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-18(2)16(21)25-19(14-10-6-4-7-11-14,15-12-8-5-9-13-15)20(18,23)17(22)24-3/h4-13,23H,1-3H3.
What are the key properties of methyl 3-hydroxy-4,4-dimethyl-5-oxo-2,2-diphenyloxolane-3-carboxylate?
methyl 3-hydroxy-4,4-dimethyl-5-oxo-2,2-diphenyloxolane-3-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4,4-dimethyl-5-oxo-2,2-diphenyloxolane-3-carboxylate is sourced from PubChem (CID 14077313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).