(2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentane-1,3-diol

C13H30O3Si — CID 134905236

IUPAC(2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentane-1,3-diol
SMILESC[C@H](CO)[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O3Si/c1-10(8-14)12(15)11(2)9-16-17(6,7)13(3,4)5/h10-12,14-15H,8-9H2,1-7H3/t10-,11+,12+/m1/s1
InChIKeyKNZWSZJHRGVXJC-WOPDTQHZSA-N
MW262.47 g/mol
LogP2.63
Rot. Bonds6

About (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentane-1,3-diol

(2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentane-1,3-diol (PubChem CID 134905236) has the molecular formula C13H30O3Si and a molecular weight of 262.47 g/mol. Its IUPAC name is (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentane-1,3-diol.

Molecular Properties

Compound Name(2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentane-1,3-diol
PubChem CID134905236
Molecular FormulaC13H30O3Si
Molecular Weight262.47 g/mol
Exact Mass262.20
IUPAC Name(2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentane-1,3-diol
SMILESC[C@H](CO)[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O3Si/c1-10(8-14)12(15)11(2)9-16-17(6,7)13(3,4)5/h10-12,14-15H,8-9H2,1-7H3/t10-,11+,12+/m1/s1
InChIKeyKNZWSZJHRGVXJC-WOPDTQHZSA-N
XLogP2.63
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentane-1,3-diol?
The IUPAC name of (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentane-1,3-diol (CID 134905236) is (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentane-1,3-diol.
What is the SMILES notation for (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentane-1,3-diol?
The canonical SMILES for (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentane-1,3-diol is C[C@H](CO)[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentane-1,3-diol?
The InChIKey is KNZWSZJHRGVXJC-WOPDTQHZSA-N. The full InChI is InChI=1S/C13H30O3Si/c1-10(8-14)12(15)11(2)9-16-17(6,7)13(3,4)5/h10-12,14-15H,8-9H2,1-7H3/t10-,11+,12+/m1/s1.
What are the key properties of (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentane-1,3-diol?
(2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentane-1,3-diol has a molecular weight of 262.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentane-1,3-diol is sourced from PubChem (CID 134905236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).