methyl (3R)-4-[(2R,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate

C20H40O4Si — CID 10761852

IUPACmethyl (3R)-4-[(2R,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate
SMILESCCCC[C@H]1O[C@@H]1C[C@H](CC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40O4Si/c1-9-10-11-18-19(23-18)12-17(13-20(21)22-8)24-25(14(2)3,15(4)5)16(6)7/h14-19H,9-13H2,1-8H3/t17-,18-,19-/m1/s1
InChIKeyLVPSVMPCJPEUIZ-GUDVDZBRSA-N
MW372.62 g/mol
LogP5.46
Rot. Bonds12

About methyl (3R)-4-[(2R,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate

methyl (3R)-4-[(2R,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate (PubChem CID 10761852) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is methyl (3R)-4-[(2R,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate.

Molecular Properties

Compound Namemethyl (3R)-4-[(2R,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate
PubChem CID10761852
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Namemethyl (3R)-4-[(2R,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate
SMILESCCCC[C@H]1O[C@@H]1C[C@H](CC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H40O4Si/c1-9-10-11-18-19(23-18)12-17(13-20(21)22-8)24-25(14(2)3,15(4)5)16(6)7/h14-19H,9-13H2,1-8H3/t17-,18-,19-/m1/s1
InChIKeyLVPSVMPCJPEUIZ-GUDVDZBRSA-N
XLogP5.46
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.62
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze methyl (3R)-4-[(2R,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate with MolForge

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Launch Full Analysis

Related Compounds

methyl (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-5-oxooxolan-2-yl]hexanoate
CID 14262402
Methyl (5r)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 23241629
Methyl (5s)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 129750370
Methyl (5s)-5-{[t-butyl(dimethyl)silyl]-oxy}-3-oxohexadecanoate
CID 129759212
dimethyl (3S,5S,9R,11R)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate
CID 134930481
dimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate
CID 134934797
(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyoxan-2-one
CID 145945199
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxydecanoate
CID 166449043
Dimethyl 3-trimethylsiloxy-heptanedioate
CID 552608
methyl (3R)-4-[(2S,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate
CID 15259814
methyl (3R)-4-[(2S,3S)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate
CID 15259815
Methyl 5,6,8,9-tetrakis[(trimethylsilyl)oxy]octadecanoate
CID 53438945

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-4-[(2R,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate?
The IUPAC name of methyl (3R)-4-[(2R,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate (CID 10761852) is methyl (3R)-4-[(2R,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate.
What is the SMILES notation for methyl (3R)-4-[(2R,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate?
The canonical SMILES for methyl (3R)-4-[(2R,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate is CCCC[C@H]1O[C@@H]1C[C@H](CC(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl (3R)-4-[(2R,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate?
The InChIKey is LVPSVMPCJPEUIZ-GUDVDZBRSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-9-10-11-18-19(23-18)12-17(13-20(21)22-8)24-25(14(2)3,15(4)5)16(6)7/h14-19H,9-13H2,1-8H3/t17-,18-,19-/m1/s1.
What are the key properties of methyl (3R)-4-[(2R,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate?
methyl (3R)-4-[(2R,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate has a molecular weight of 372.62 g/mol, XLogP of 5.46, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-4-[(2R,3R)-3-butyloxiran-2-yl]-3-tri(propan-2-yl)silyloxybutanoate is sourced from PubChem (CID 10761852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).