(4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane

C17H18O3 — CID 14972315

IUPAC(4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane
SMILESCOC1(C)O[C@@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C17H18O3/c1-17(18-2)19-15(13-9-5-3-6-10-13)16(20-17)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16-/m0/s1
InChIKeyIBSIFLQLQSKVLD-HOTGVXAUSA-N
MW270.33 g/mol
LogP3.84
Rot. Bonds3

About (4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane

(4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane (PubChem CID 14972315) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane
PubChem CID14972315
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane
SMILESCOC1(C)O[C@@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C17H18O3/c1-17(18-2)19-15(13-9-5-3-6-10-13)16(20-17)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16-/m0/s1
InChIKeyIBSIFLQLQSKVLD-HOTGVXAUSA-N
XLogP3.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane?
The IUPAC name of (4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane (CID 14972315) is (4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane?
The canonical SMILES for (4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane is COC1(C)O[C@@H](c2ccccc2)[C@H](c2ccccc2)O1.
What is the InChIKey of (4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane?
The InChIKey is IBSIFLQLQSKVLD-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H18O3/c1-17(18-2)19-15(13-9-5-3-6-10-13)16(20-17)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16-/m0/s1.
What are the key properties of (4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane?
(4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane has a molecular weight of 270.33 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane is sourced from PubChem (CID 14972315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).