3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid

C10H22O4Si — CID 76827468

IUPAC3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid
SMILESCC(CC(=O)OO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O4Si/c1-8(7-9(11)13-12)14-15(5,6)10(2,3)4/h8,12H,7H2,1-6H3
InChIKeyGHQACOBAMYVVME-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.80
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid

3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid (PubChem CID 76827468) has the molecular formula C10H22O4Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid
PubChem CID76827468
Molecular FormulaC10H22O4Si
Molecular Weight234.37 g/mol
Exact Mass234.13
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid
SMILESCC(CC(=O)OO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O4Si/c1-8(7-9(11)13-12)14-15(5,6)10(2,3)4/h8,12H,7H2,1-6H3
InChIKeyGHQACOBAMYVVME-UHFFFAOYSA-N
XLogP2.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.80
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

(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undecan-6-one
CID 10598768
(E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-2-ynoic acid
CID 10924033
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
4-[tert-butyl(dimethyl)silyl]oxyheptane-2,6-dione
CID 123783100
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 71354514
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 11149233
3-[tert-butyl(dimethyl)silyl]oxy-1-(cyclopenten-1-yl)butan-1-one
CID 123455813
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyheptan-1-ol
CID 71401033
dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
CID 102115680
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethylpropan-1-amine
CID 156904543

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid (CID 76827468) is 3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid is CC(CC(=O)OO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid?
The InChIKey is GHQACOBAMYVVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4Si/c1-8(7-9(11)13-12)14-15(5,6)10(2,3)4/h8,12H,7H2,1-6H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid?
3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid has a molecular weight of 234.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid is sourced from PubChem (CID 76827468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).