methyl 3-[(4R,5R)-2-methyl-4,5-diphenyl-1,3-dioxolan-2-yl]propanoate

C20H22O4 — CID 10711237

IUPACmethyl 3-[(4R,5R)-2-methyl-4,5-diphenyl-1,3-dioxolan-2-yl]propanoate
SMILESCOC(=O)CCC1(C)O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C20H22O4/c1-20(14-13-17(21)22-2)23-18(15-9-5-3-6-10-15)19(24-20)16-11-7-4-8-12-16/h3-12,18-19H,13-14H2,1-2H3/t18-,19-/m1/s1
InChIKeyCHEFYMWVLARBBR-RTBURBONSA-N
MW326.39 g/mol
LogP4.19
Rot. Bonds5

About methyl 3-[(4R,5R)-2-methyl-4,5-diphenyl-1,3-dioxolan-2-yl]propanoate

methyl 3-[(4R,5R)-2-methyl-4,5-diphenyl-1,3-dioxolan-2-yl]propanoate (PubChem CID 10711237) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is methyl 3-[(4R,5R)-2-methyl-4,5-diphenyl-1,3-dioxolan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4R,5R)-2-methyl-4,5-diphenyl-1,3-dioxolan-2-yl]propanoate
PubChem CID10711237
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Namemethyl 3-[(4R,5R)-2-methyl-4,5-diphenyl-1,3-dioxolan-2-yl]propanoate
SMILESCOC(=O)CCC1(C)O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C20H22O4/c1-20(14-13-17(21)22-2)23-18(15-9-5-3-6-10-15)19(24-20)16-11-7-4-8-12-16/h3-12,18-19H,13-14H2,1-2H3/t18-,19-/m1/s1
InChIKeyCHEFYMWVLARBBR-RTBURBONSA-N
XLogP4.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(4R,5R)-2-methyl-4,5-diphenyl-1,3-dioxolan-2-yl]propanoate with MolForge

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Related Compounds

methyl 2-[(4S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]acetate
CID 71088677
(4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane
CID 14972315
methyl 3-[(3S,5S)-3-ethyl-2-oxo-5-phenylmorpholin-3-yl]propanoate
CID 11077158
acetic acid;chlorobenzene;dimethyl butanedioate
CID 174884752
methyl (2S,3S)-1-(3-methoxy-3-oxopropyl)-3-phenylaziridine-2-carboxylate
CID 23266537
methyl 4-[3,4-dihydroxy-2-(4-methoxy-4-oxobutyl)-1,2-diphenylcyclobutyl]butanoate
CID 134094247
methyl (4R,5S,6R)-2,2,4-trimethyl-6-phenyl-1,3-dioxane-5-carboxylate
CID 11265546
methyl 2-[[(2S,3S)-3-phenyloxiran-2-yl]methylsulfanyl]acetate
CID 15926581
methyl (4R,5R)-2,2-diethyl-5-phenyl-1,3-dioxolane-4-carboxylate
CID 175002789
methyl 2-[[(2R)-3-phenyloxiran-2-yl]methylsulfanyl]acetate
CID 88622037
methyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate
CID 101026694
methyl 2-[(4S,5R)-2-oxo-5-phenyl-1,3-oxazolidin-4-yl]acetate
CID 11791154

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4R,5R)-2-methyl-4,5-diphenyl-1,3-dioxolan-2-yl]propanoate?
The IUPAC name of methyl 3-[(4R,5R)-2-methyl-4,5-diphenyl-1,3-dioxolan-2-yl]propanoate (CID 10711237) is methyl 3-[(4R,5R)-2-methyl-4,5-diphenyl-1,3-dioxolan-2-yl]propanoate.
What is the SMILES notation for methyl 3-[(4R,5R)-2-methyl-4,5-diphenyl-1,3-dioxolan-2-yl]propanoate?
The canonical SMILES for methyl 3-[(4R,5R)-2-methyl-4,5-diphenyl-1,3-dioxolan-2-yl]propanoate is COC(=O)CCC1(C)O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1.
What is the InChIKey of methyl 3-[(4R,5R)-2-methyl-4,5-diphenyl-1,3-dioxolan-2-yl]propanoate?
The InChIKey is CHEFYMWVLARBBR-RTBURBONSA-N. The full InChI is InChI=1S/C20H22O4/c1-20(14-13-17(21)22-2)23-18(15-9-5-3-6-10-15)19(24-20)16-11-7-4-8-12-16/h3-12,18-19H,13-14H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of methyl 3-[(4R,5R)-2-methyl-4,5-diphenyl-1,3-dioxolan-2-yl]propanoate?
methyl 3-[(4R,5R)-2-methyl-4,5-diphenyl-1,3-dioxolan-2-yl]propanoate has a molecular weight of 326.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4R,5R)-2-methyl-4,5-diphenyl-1,3-dioxolan-2-yl]propanoate is sourced from PubChem (CID 10711237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).