ethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate

C14H18O5 — CID 10563681

IUPACethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate
SMILESCCOC(=O)[C@@H]1OC(C)(OC)O[C@H]1c1ccccc1
InChIInChI=1S/C14H18O5/c1-4-17-13(15)12-11(10-8-6-5-7-9-10)18-14(2,16-3)19-12/h5-9,11-12H,4H2,1-3H3/t11-,12+,14?/m0/s1
InChIKeyITDHRWOCEGKSDA-KTYPHDMWSA-N
MW266.29 g/mol
LogP2.03
Rot. Bonds4

About ethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate

ethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate (PubChem CID 10563681) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is ethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate
PubChem CID10563681
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Nameethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate
SMILESCCOC(=O)[C@@H]1OC(C)(OC)O[C@H]1c1ccccc1
InChIInChI=1S/C14H18O5/c1-4-17-13(15)12-11(10-8-6-5-7-9-10)18-14(2,16-3)19-12/h5-9,11-12H,4H2,1-3H3/t11-,12+,14?/m0/s1
InChIKeyITDHRWOCEGKSDA-KTYPHDMWSA-N
XLogP2.03
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl (4R,5R)-2-methoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylate
CID 14972311
methyl (4R,5S)-5-(4-fluorophenyl)-2-methoxy-2-methyl-1,3-dioxolane-4-carboxylate
CID 15276470
ethyl 2,2-dimethyl-3,4-diphenyl-1,3-oxazolidine-5-carboxylate
CID 101100107
ethyl (4R,5S)-2-oxo-5-phenyl-1,3-dioxolane-4-carboxylate
CID 124672191
methyl (4R,5R)-2,2-diethyl-5-phenyl-1,3-dioxolane-4-carboxylate
CID 175002789
ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate
CID 10513963
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
ethyl 2,2-dimethyl-3-(4-nitrophenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate
CID 101100110
ethyl 3-(4-phenylmethoxyphenyl)oxirane-2-carboxylate
CID 11277925
ethyl (2R,4R,5R)-2,5-bis(4-chlorophenyl)-1,3-dioxolane-4-carboxylate
CID 23239564
ethyl 4-acetyl-5-methyl-3-phenyl-2,3-dihydrofuran-2-carboxylate
CID 102486020
ethyl 3-benzyloxirane-2-carboxylate
CID 526766

Frequently Asked Questions

What is the IUPAC name of ethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of ethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate (CID 10563681) is ethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for ethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for ethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate is CCOC(=O)[C@@H]1OC(C)(OC)O[C@H]1c1ccccc1.
What is the InChIKey of ethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate?
The InChIKey is ITDHRWOCEGKSDA-KTYPHDMWSA-N. The full InChI is InChI=1S/C14H18O5/c1-4-17-13(15)12-11(10-8-6-5-7-9-10)18-14(2,16-3)19-12/h5-9,11-12H,4H2,1-3H3/t11-,12+,14?/m0/s1.
What are the key properties of ethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate?
ethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate has a molecular weight of 266.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,5S)-2-methoxy-2-methyl-5-phenyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 10563681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).