3-hydroxy-3-methyl-2-tri(propan-2-yl)silylperoxybutanal

C14H30O4Si — CID 101410814

IUPAC3-hydroxy-3-methyl-2-tri(propan-2-yl)silylperoxybutanal
SMILESCC(C)[Si](OOC(C=O)C(C)(C)O)(C(C)C)C(C)C
InChIInChI=1S/C14H30O4Si/c1-10(2)19(11(3)4,12(5)6)18-17-13(9-15)14(7,8)16/h9-13,16H,1-8H3
InChIKeyVTRXDRNKHBECFP-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.45
Rot. Bonds8

About 3-hydroxy-3-methyl-2-tri(propan-2-yl)silylperoxybutanal

3-hydroxy-3-methyl-2-tri(propan-2-yl)silylperoxybutanal (PubChem CID 101410814) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-2-tri(propan-2-yl)silylperoxybutanal.

Molecular Properties

Compound Name3-hydroxy-3-methyl-2-tri(propan-2-yl)silylperoxybutanal
PubChem CID101410814
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Name3-hydroxy-3-methyl-2-tri(propan-2-yl)silylperoxybutanal
SMILESCC(C)[Si](OOC(C=O)C(C)(C)O)(C(C)C)C(C)C
InChIInChI=1S/C14H30O4Si/c1-10(2)19(11(3)4,12(5)6)18-17-13(9-15)14(7,8)16/h9-13,16H,1-8H3
InChIKeyVTRXDRNKHBECFP-UHFFFAOYSA-N
XLogP3.45
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

2-[Tert-butyl(dimethyl)silyl]peroxy-3-hydroxy-3-methylbutanal
CID 101410813
3-Methyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxybutanal
CID 101410815
2-[Tert-butyl(dimethyl)silyl]peroxy-3-methyl-3-trimethylsilyloxybutanal
CID 101410816
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxybutanal
CID 135040198
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal
CID 11299602
(2R,3R)-3-[tert-butyl(dimethyl)silyl]peroxy-2,4-dihydroxybutanal
CID 140314385
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpentanal
CID 166003866
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpent-4-ynal
CID 101256241
3-[Tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(dimethyl)silyl]peroxy-3-methylbutanal
CID 101860348

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-2-tri(propan-2-yl)silylperoxybutanal?
The IUPAC name of 3-hydroxy-3-methyl-2-tri(propan-2-yl)silylperoxybutanal (CID 101410814) is 3-hydroxy-3-methyl-2-tri(propan-2-yl)silylperoxybutanal.
What is the SMILES notation for 3-hydroxy-3-methyl-2-tri(propan-2-yl)silylperoxybutanal?
The canonical SMILES for 3-hydroxy-3-methyl-2-tri(propan-2-yl)silylperoxybutanal is CC(C)[Si](OOC(C=O)C(C)(C)O)(C(C)C)C(C)C.
What is the InChIKey of 3-hydroxy-3-methyl-2-tri(propan-2-yl)silylperoxybutanal?
The InChIKey is VTRXDRNKHBECFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-10(2)19(11(3)4,12(5)6)18-17-13(9-15)14(7,8)16/h9-13,16H,1-8H3.
What are the key properties of 3-hydroxy-3-methyl-2-tri(propan-2-yl)silylperoxybutanal?
3-hydroxy-3-methyl-2-tri(propan-2-yl)silylperoxybutanal has a molecular weight of 290.48 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-2-tri(propan-2-yl)silylperoxybutanal is sourced from PubChem (CID 101410814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).