tert-butyl (2S,3R,5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-2-phenyloxolane-3-carboxylate

C19H26O5 — CID 101165772

IUPACtert-butyl (2S,3R,5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-2-phenyloxolane-3-carboxylate
SMILESCOC(=O)C[C@@H]1C[C@@](C)(C(=O)OC(C)(C)C)[C@H](c2ccccc2)O1
InChIInChI=1S/C19H26O5/c1-18(2,3)24-17(21)19(4)12-14(11-15(20)22-5)23-16(19)13-9-7-6-8-10-13/h6-10,14,16H,11-12H2,1-5H3/t14-,16+,19-/m1/s1
InChIKeyZVNJRZRGSIDAAQ-SIXWZSSISA-N
MW334.41 g/mol
LogP3.43
Rot. Bonds4

About tert-butyl (2S,3R,5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-2-phenyloxolane-3-carboxylate

tert-butyl (2S,3R,5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-2-phenyloxolane-3-carboxylate (PubChem CID 101165772) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is tert-butyl (2S,3R,5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-2-phenyloxolane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R,5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-2-phenyloxolane-3-carboxylate
PubChem CID101165772
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Nametert-butyl (2S,3R,5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-2-phenyloxolane-3-carboxylate
SMILESCOC(=O)C[C@@H]1C[C@@](C)(C(=O)OC(C)(C)C)[C@H](c2ccccc2)O1
InChIInChI=1S/C19H26O5/c1-18(2,3)24-17(21)19(4)12-14(11-15(20)22-5)23-16(19)13-9-7-6-8-10-13/h6-10,14,16H,11-12H2,1-5H3/t14-,16+,19-/m1/s1
InChIKeyZVNJRZRGSIDAAQ-SIXWZSSISA-N
XLogP3.43
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 91609014
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CID 118483818
trans-methyl (1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylate
CID 10946226
tert-butyl 1-methyl-2-(3-methylphenyl)cyclopropane-1-carboxylate
CID 175646816
tert-butyl 1-nitro-2-phenylcyclopropane-1-carboxylate
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trans-ditert-butyl (2S,6S)-4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate
CID 102122342
methyl 2-[(4S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]acetate
CID 71088677
methyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-phenylcyclopropane-1-carboxylate
CID 70985003
tert-butyl (2S,3R)-3-phenyloxirane-2-carboxylate
CID 12750086
methyl 2-[(1S,3R)-1-methyl-5,10-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate
CID 14059023
cis-(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 7009514
trans-(1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 7009512

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R,5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-2-phenyloxolane-3-carboxylate?
The IUPAC name of tert-butyl (2S,3R,5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-2-phenyloxolane-3-carboxylate (CID 101165772) is tert-butyl (2S,3R,5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-2-phenyloxolane-3-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R,5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-2-phenyloxolane-3-carboxylate?
The canonical SMILES for tert-butyl (2S,3R,5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-2-phenyloxolane-3-carboxylate is COC(=O)C[C@@H]1C[C@@](C)(C(=O)OC(C)(C)C)[C@H](c2ccccc2)O1.
What is the InChIKey of tert-butyl (2S,3R,5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-2-phenyloxolane-3-carboxylate?
The InChIKey is ZVNJRZRGSIDAAQ-SIXWZSSISA-N. The full InChI is InChI=1S/C19H26O5/c1-18(2,3)24-17(21)19(4)12-14(11-15(20)22-5)23-16(19)13-9-7-6-8-10-13/h6-10,14,16H,11-12H2,1-5H3/t14-,16+,19-/m1/s1.
What are the key properties of tert-butyl (2S,3R,5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-2-phenyloxolane-3-carboxylate?
tert-butyl (2S,3R,5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-2-phenyloxolane-3-carboxylate has a molecular weight of 334.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R,5S)-5-(2-methoxy-2-oxoethyl)-3-methyl-2-phenyloxolane-3-carboxylate is sourced from PubChem (CID 101165772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).