2-[tert-butyl(dimethyl)silyl]peroxy-3-methylbutane-1,3-diol

C11H26O4Si — CID 101410805

IUPAC2-[tert-butyl(dimethyl)silyl]peroxy-3-methylbutane-1,3-diol
SMILESCC(C)(O)C(CO)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H26O4Si/c1-10(2,3)16(6,7)15-14-9(8-12)11(4,5)13/h9,12-13H,8H2,1-7H3
InChIKeyBRBJBHFOFLSGEB-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.07
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]peroxy-3-methylbutane-1,3-diol

2-[tert-butyl(dimethyl)silyl]peroxy-3-methylbutane-1,3-diol (PubChem CID 101410805) has the molecular formula C11H26O4Si and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]peroxy-3-methylbutane-1,3-diol.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]peroxy-3-methylbutane-1,3-diol
PubChem CID101410805
Molecular FormulaC11H26O4Si
Molecular Weight250.41 g/mol
Exact Mass250.16
IUPAC Name2-[tert-butyl(dimethyl)silyl]peroxy-3-methylbutane-1,3-diol
SMILESCC(C)(O)C(CO)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H26O4Si/c1-10(2,3)16(6,7)15-14-9(8-12)11(4,5)13/h9,12-13H,8H2,1-7H3
InChIKeyBRBJBHFOFLSGEB-UHFFFAOYSA-N
XLogP2.07
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
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'}

Analyze 2-[tert-butyl(dimethyl)silyl]peroxy-3-methylbutane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-2-triethylsilylperoxypropan-1-ol
CID 11160350
(2R)-1-(tert-butyldimethylsilyloxy)butan-2-ol
CID 11321679
(2R)-3-{[tert-Butyl(dimethyl)silyl]oxy}propane-1,2-diol
CID 13552567
4-[Tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-ol
CID 15124201
3-Methyl-3-[(triethylsilyl)dioxy]-butanol
CID 85604536
(2S)-3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol
CID 100997878
1,3-Propanediol, 2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11481169
(1R,2S,3S)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol
CID 9991042
(1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol
CID 10466063
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxybutane-2,3-diol
CID 23254662
3-Trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutan-1-ol
CID 101410809
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylbutane-1,2-diol
CID 102037319

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]peroxy-3-methylbutane-1,3-diol?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]peroxy-3-methylbutane-1,3-diol (CID 101410805) is 2-[tert-butyl(dimethyl)silyl]peroxy-3-methylbutane-1,3-diol.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]peroxy-3-methylbutane-1,3-diol?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]peroxy-3-methylbutane-1,3-diol is CC(C)(O)C(CO)OO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]peroxy-3-methylbutane-1,3-diol?
The InChIKey is BRBJBHFOFLSGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O4Si/c1-10(2,3)16(6,7)15-14-9(8-12)11(4,5)13/h9,12-13H,8H2,1-7H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]peroxy-3-methylbutane-1,3-diol?
2-[tert-butyl(dimethyl)silyl]peroxy-3-methylbutane-1,3-diol has a molecular weight of 250.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]peroxy-3-methylbutane-1,3-diol is sourced from PubChem (CID 101410805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).