3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol

C11H26O3Si — CID 123722416

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)C(O)O
InChIInChI=1S/C11H26O3Si/c1-10(2,3)15(6,7)14-8-11(4,5)9(12)13/h9,12-13H,8H2,1-7H3
InChIKeyIQFKLTAHJILYOM-UHFFFAOYSA-N
MW234.41 g/mol
LogP2.35
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol

3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol (PubChem CID 123722416) has the molecular formula C11H26O3Si and a molecular weight of 234.41 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol
PubChem CID123722416
Molecular FormulaC11H26O3Si
Molecular Weight234.41 g/mol
Exact Mass234.17
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)C(O)O
InChIInChI=1S/C11H26O3Si/c1-10(2,3)15(6,7)14-8-11(4,5)9(12)13/h9,12-13H,8H2,1-7H3
InChIKeyIQFKLTAHJILYOM-UHFFFAOYSA-N
XLogP2.35
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentanal
CID 102015279
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
tert-butyl-(2,2-difluoropropoxy)-dimethylsilane
CID 123170783
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
3-methoxy-2,2-dimethylpropane-1,1-diol
CID 139679020
(NE)-N-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]hydroxylamine
CID 121006548
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodobutane-1,3-diol
CID 102271148
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] carbamate
CID 175506306
1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
1-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-3-yn-2-ol
CID 11095976

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol (CID 123722416) is 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol is CC(C)(CO[Si](C)(C)C(C)(C)C)C(O)O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol?
The InChIKey is IQFKLTAHJILYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O3Si/c1-10(2,3)15(6,7)14-8-11(4,5)9(12)13/h9,12-13H,8H2,1-7H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol?
3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol has a molecular weight of 234.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol is sourced from PubChem (CID 123722416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).