3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutan-1-ol

C16H38O4Si2 — CID 101410809

IUPAC3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutan-1-ol
SMILESCC(O[Si](C)(C)C)C(CO)OO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H38O4Si2/c1-12(2)22(13(3)4,14(5)6)20-18-16(11-17)15(7)19-21(8,9)10/h12-17H,11H2,1-10H3
InChIKeyOMYPMYYCVQCICK-UHFFFAOYSA-N
MW350.65 g/mol
LogP4.71
Rot. Bonds10

About 3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutan-1-ol

3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutan-1-ol (PubChem CID 101410809) has the molecular formula C16H38O4Si2 and a molecular weight of 350.65 g/mol. Its IUPAC name is 3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutan-1-ol.

Molecular Properties

Compound Name3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutan-1-ol
PubChem CID101410809
Molecular FormulaC16H38O4Si2
Molecular Weight350.65 g/mol
Exact Mass350.23
IUPAC Name3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutan-1-ol
SMILESCC(O[Si](C)(C)C)C(CO)OO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H38O4Si2/c1-12(2)22(13(3)4,14(5)6)20-18-16(11-17)15(7)19-21(8,9)10/h12-17H,11H2,1-10H3
InChIKeyOMYPMYYCVQCICK-UHFFFAOYSA-N
XLogP4.71
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.65
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-[3-[1,3,3,3-Tetramethyl-1-[(trimethylsilyl)oxy]-1-disiloxanyl]propoxy]-1,2-propanediol
CID 9798708
1,3-Bis[3-(2,3-dihydroxypropoxy)propyl]tetramethyldisiloxane
CID 19856298
2-[Tert-butyl(dimethyl)silyl]peroxy-3-methylbutane-1,3-diol
CID 101410805
3-Trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol
CID 101410810
Hexa-tms-glycerol
CID 129844551
5-Tri(propan-2-yl)silyl-2-tri(propan-2-yl)silylperoxypent-4-yne-1,3-diol
CID 134928395
(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropan-1-ol
CID 135014913
(2S,4S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentane-2,4-diol
CID 135016182
(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxybutane-1,2,3-triol
CID 135040584
(2S,3S)-3-triethylsilyl-1-triethylsilyloxy-5-trimethylsilylpent-4-yn-2-ol
CID 162397169
Erythritol, tri-TMS
CID 6430530
1,3-O-Bis(triisopropylsilyl) Glycerol
CID 10960470

Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutan-1-ol?
The IUPAC name of 3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutan-1-ol (CID 101410809) is 3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutan-1-ol.
What is the SMILES notation for 3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutan-1-ol?
The canonical SMILES for 3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutan-1-ol is CC(O[Si](C)(C)C)C(CO)OO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutan-1-ol?
The InChIKey is OMYPMYYCVQCICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38O4Si2/c1-12(2)22(13(3)4,14(5)6)20-18-16(11-17)15(7)19-21(8,9)10/h12-17H,11H2,1-10H3.
What are the key properties of 3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutan-1-ol?
3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutan-1-ol has a molecular weight of 350.65 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutan-1-ol is sourced from PubChem (CID 101410809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).