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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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).