methyl (3S)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate

C16H32O4Si — CID 135001185

IUPACmethyl (3S)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate
SMILESCOC(=O)C[C@H](C)[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-12(11-14(17)18-5)15-13(9-8-10-19-15)20-21(6,7)16(2,3)4/h12-13,15H,8-11H2,1-7H3/t12-,13-,15+/m0/s1
InChIKeyCUVMGUGDPICICA-KCQAQPDRSA-N
MW316.51 g/mol
LogP3.76
Rot. Bonds5

About methyl (3S)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate

methyl (3S)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate (PubChem CID 135001185) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is methyl (3S)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate.

Molecular Properties

Compound Namemethyl (3S)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate
PubChem CID135001185
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Namemethyl (3S)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate
SMILESCOC(=O)C[C@H](C)[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-12(11-14(17)18-5)15-13(9-8-10-19-15)20-21(6,7)16(2,3)4/h12-13,15H,8-11H2,1-7H3/t12-,13-,15+/m0/s1
InChIKeyCUVMGUGDPICICA-KCQAQPDRSA-N
XLogP3.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate
CID 10893326
(3R,5S,6S)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-3,5-dimethyloxan-2-one
CID 10615212
(5S)-5-[(2R,5R,6S)-5-ethyl-6-methyl-5-triethylsilyloxyoxan-2-yl]-5-methyloxolan-2-one
CID 11013732
methyl 2-[(2R,3R,4R,6R)-3-methyl-6-(2-oxoethyl)-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetate
CID 11395069
(3R,5S)-5-[(1S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-methyloxolan-2-one
CID 44604624
ethyl (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate
CID 56591110
Methyl 3-[2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]propanoate
CID 85341340
methyl (3R)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-3-methylbutanoate
CID 101383532
methyl (3S)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-3-methylbutanoate
CID 101383533
methyl (3R)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate
CID 101383534
methyl (3S)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-3-methylpentanoate
CID 101383536
methyl (3R)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-3-methylpentanoate
CID 101383537

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate?
The IUPAC name of methyl (3S)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate (CID 135001185) is methyl (3S)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate.
What is the SMILES notation for methyl (3S)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate?
The canonical SMILES for methyl (3S)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate is COC(=O)C[C@H](C)[C@H]1OCCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3S)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate?
The InChIKey is CUVMGUGDPICICA-KCQAQPDRSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-12(11-14(17)18-5)15-13(9-8-10-19-15)20-21(6,7)16(2,3)4/h12-13,15H,8-11H2,1-7H3/t12-,13-,15+/m0/s1.
What are the key properties of methyl (3S)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate?
methyl (3S)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate has a molecular weight of 316.51 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butanoate is sourced from PubChem (CID 135001185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).