methyl (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate

C14H30O4Si — CID 10732282

IUPACmethyl (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate
SMILESCOC(=O)C[C@H](O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H30O4Si/c1-10(2)19(11(3)4,12(5)6)18-9-13(15)8-14(16)17-7/h10-13,15H,8-9H2,1-7H3/t13-/m0/s1
InChIKeyMUGZYPGPRSTYQO-ZDUSSCGKSA-N
MW290.48 g/mol
LogP3.10
Rot. Bonds8

About methyl (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate

methyl (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate (PubChem CID 10732282) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is methyl (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate.

Molecular Properties

Compound Namemethyl (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate
PubChem CID10732282
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Namemethyl (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate
SMILESCOC(=O)C[C@H](O)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H30O4Si/c1-10(2)19(11(3)4,12(5)6)18-9-13(15)8-14(16)17-7/h10-13,15H,8-9H2,1-7H3/t13-/m0/s1
InChIKeyMUGZYPGPRSTYQO-ZDUSSCGKSA-N
XLogP3.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl (S)-(-)-4-(tert-butyldimethylsilyloxy)-2-hydroxybutanoate
CID 16217854
Methyl 4-((tert-butyldimethylsilyl)oxy)-2-hydroxybutanoate
CID 4430418
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 14584147
methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 24823711
3,4-Bis-[(tms)oxy]butanoic acid
CID 87627564
3-Hydroxybutyric acid, mono-TBDMS # 1
CID 91752586
Bis(trimethylsilyl) 2-hydroxybutanedioate
CID 14048536
(3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoic acid
CID 11346442
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 14584148
(R)-Methyl 4-((tert-butyldimethylsilyl)oxy)-2-hydroxybutanoate
CID 56833481
methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanoate
CID 72948038
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 75104437

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate?
The IUPAC name of methyl (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate (CID 10732282) is methyl (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate.
What is the SMILES notation for methyl (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate?
The canonical SMILES for methyl (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate is COC(=O)C[C@H](O)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate?
The InChIKey is MUGZYPGPRSTYQO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-10(2)19(11(3)4,12(5)6)18-9-13(15)8-14(16)17-7/h10-13,15H,8-9H2,1-7H3/t13-/m0/s1.
What are the key properties of methyl (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate?
methyl (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate has a molecular weight of 290.48 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate is sourced from PubChem (CID 10732282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).