(3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoic acid

C13H28O4Si — CID 11346442

IUPAC(3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoic acid
SMILESCC(C)[Si](OC[C@@H](O)CC(=O)O)(C(C)C)C(C)C
InChIInChI=1S/C13H28O4Si/c1-9(2)18(10(3)4,11(5)6)17-8-12(14)7-13(15)16/h9-12,14H,7-8H2,1-6H3,(H,15,16)/t12-/m0/s1
InChIKeyRZRQKVJJIDHNLG-LBPRGKRZSA-N
MW276.45 g/mol
LogP3.01
Rot. Bonds8

About (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoic acid

(3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoic acid (PubChem CID 11346442) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoic acid.

Molecular Properties

Compound Name(3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoic acid
PubChem CID11346442
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Name(3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoic acid
SMILESCC(C)[Si](OC[C@@H](O)CC(=O)O)(C(C)C)C(C)C
InChIInChI=1S/C13H28O4Si/c1-9(2)18(10(3)4,11(5)6)17-8-12(14)7-13(15)16/h9-12,14H,7-8H2,1-6H3,(H,15,16)/t12-/m0/s1
InChIKeyRZRQKVJJIDHNLG-LBPRGKRZSA-N
XLogP3.01
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
methyl (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoate
CID 10732282
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 14584148
(R)-Methyl 4-((tert-butyldimethylsilyl)oxy)-2-hydroxybutanoate
CID 56833481
Ethyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 75104437
Ethyl 3-hydroxy-4-((triisopropylsilyl)oxy)butanoate
CID 85257417

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoic acid?
The IUPAC name of (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoic acid (CID 11346442) is (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoic acid.
What is the SMILES notation for (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoic acid?
The canonical SMILES for (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoic acid is CC(C)[Si](OC[C@@H](O)CC(=O)O)(C(C)C)C(C)C.
What is the InChIKey of (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoic acid?
The InChIKey is RZRQKVJJIDHNLG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-9(2)18(10(3)4,11(5)6)17-8-12(14)7-13(15)16/h9-12,14H,7-8H2,1-6H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoic acid?
(3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoic acid has a molecular weight of 276.45 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-4-tri(propan-2-yl)silyloxybutanoic acid is sourced from PubChem (CID 11346442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).