methyl 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethoxy-3-(4-methoxyphenyl)propanoate

C19H32O6Si — CID 102513329

IUPACmethyl 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethoxy-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)C(OC)C(OC)(O[Si](C)(C)C(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C19H32O6Si/c1-18(2,3)26(8,9)25-19(24-7,16(22-5)17(20)23-6)14-10-12-15(21-4)13-11-14/h10-13,16H,1-9H3
InChIKeyQUCFPOZBUKFAEW-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.70
Rot. Bonds8

About methyl 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethoxy-3-(4-methoxyphenyl)propanoate

methyl 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethoxy-3-(4-methoxyphenyl)propanoate (PubChem CID 102513329) has the molecular formula C19H32O6Si and a molecular weight of 384.55 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethoxy-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethoxy-3-(4-methoxyphenyl)propanoate
PubChem CID102513329
Molecular FormulaC19H32O6Si
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethoxy-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)C(OC)C(OC)(O[Si](C)(C)C(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C19H32O6Si/c1-18(2,3)26(8,9)25-19(24-7,16(22-5)17(20)23-6)14-10-12-15(21-4)13-11-14/h10-13,16H,1-9H3
InChIKeyQUCFPOZBUKFAEW-UHFFFAOYSA-N
XLogP3.70
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (2S,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)propanoate
CID 122377254
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-propan-2-ylbutanoate
CID 62395794
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenylpropanoate
CID 11596486
CID 88961149
CID 88961149
methyl 5-[tert-butyl(dimethyl)silyl]oxy-2-diazo-5-(4-methoxyphenyl)-3-oxooctanoate
CID 101374787
2-bromo-1,2-bis(4-methoxyphenyl)propan-1-one
CID 129261159
3-(4-methoxyphenyl)-3-methylbutanamide
CID 50995659
methyl 3-amino-3-(4-methoxyphenyl)butanoate
CID 79848680
(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-one
CID 101444869
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-naphthalen-2-ylbutanoate
CID 132990782
methyl (2R,3R)-4,4,4-trifluoro-2-formamido-3-hydroxy-3-(4-methoxyphenyl)butanoate
CID 736704
methyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-[(2R)-oxiran-2-yl]propanoate
CID 99772362

Frequently Asked Questions

What is the IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethoxy-3-(4-methoxyphenyl)propanoate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethoxy-3-(4-methoxyphenyl)propanoate (CID 102513329) is methyl 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethoxy-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethoxy-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethoxy-3-(4-methoxyphenyl)propanoate is COC(=O)C(OC)C(OC)(O[Si](C)(C)C(C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethoxy-3-(4-methoxyphenyl)propanoate?
The InChIKey is QUCFPOZBUKFAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O6Si/c1-18(2,3)26(8,9)25-19(24-7,16(22-5)17(20)23-6)14-10-12-15(21-4)13-11-14/h10-13,16H,1-9H3.
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethoxy-3-(4-methoxyphenyl)propanoate?
methyl 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethoxy-3-(4-methoxyphenyl)propanoate has a molecular weight of 384.55 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethoxy-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 102513329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).