4-hydroxy-4-methyl-1,3,2,4-dioxadisiletane 2-oxide

CH4O4Si2 — CID 141079253

IUPAC4-hydroxy-4-methyl-1,3,2,4-dioxadisiletane 2-oxide
SMILESC[Si]1(O)O[Si](=O)O1
InChIInChI=1S/CH4O4Si2/c1-7(3)4-6(2)5-7/h3H,1H3
InChIKeyZAVFPICHNGKTSL-UHFFFAOYSA-N
MW136.21 g/mol
LogP-0.99
Rot. Bonds

About 4-hydroxy-4-methyl-1,3,2,4-dioxadisiletane 2-oxide

4-hydroxy-4-methyl-1,3,2,4-dioxadisiletane 2-oxide (PubChem CID 141079253) has the molecular formula CH4O4Si2 and a molecular weight of 136.21 g/mol. Its IUPAC name is 4-hydroxy-4-methyl-1,3,2,4-dioxadisiletane 2-oxide.

Molecular Properties

Compound Name4-hydroxy-4-methyl-1,3,2,4-dioxadisiletane 2-oxide
PubChem CID141079253
Molecular FormulaCH4O4Si2
Molecular Weight136.21 g/mol
Exact Mass135.96
IUPAC Name4-hydroxy-4-methyl-1,3,2,4-dioxadisiletane 2-oxide
SMILESC[Si]1(O)O[Si](=O)O1
InChIInChI=1S/CH4O4Si2/c1-7(3)4-6(2)5-7/h3H,1H3
InChIKeyZAVFPICHNGKTSL-UHFFFAOYSA-N
XLogP-0.99
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 11481957
CID 11481957
2,4-dihydroxy-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 174249052
2,4,8-trihydroxy-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
CID 123831411
CID 19737039
CID 19737039
(2,2-dimethyl-3-trimethylsilyltrisiliren-1-yl)-trimethylsilane
CID 170905329
1-hydroxy-1-methylsilirane
CID 139803262
1,4-dihydroxy-1,2,2,3,3,4,5,5,6,6-decamethylhexasilinane
CID 6421143
methanol;oxotungsten
CID 175017762
5-methyl-2-oxo-1,3,2-dioxasilolane-4,4-diol
CID 141089914
2,4-dihydroxy-6,8-dimethoxy-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;trihydroxy(methyl)silane
CID 161330417
2-butan-2-yl-2,4,4,6-tetrahydroxy-6,8,8-trimethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 69471592
2,4-dihydroxy-2,4,6,8-tetramethyl-6-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 157296418

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-methyl-1,3,2,4-dioxadisiletane 2-oxide?
The IUPAC name of 4-hydroxy-4-methyl-1,3,2,4-dioxadisiletane 2-oxide (CID 141079253) is 4-hydroxy-4-methyl-1,3,2,4-dioxadisiletane 2-oxide.
What is the SMILES notation for 4-hydroxy-4-methyl-1,3,2,4-dioxadisiletane 2-oxide?
The canonical SMILES for 4-hydroxy-4-methyl-1,3,2,4-dioxadisiletane 2-oxide is C[Si]1(O)O[Si](=O)O1.
What is the InChIKey of 4-hydroxy-4-methyl-1,3,2,4-dioxadisiletane 2-oxide?
The InChIKey is ZAVFPICHNGKTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O4Si2/c1-7(3)4-6(2)5-7/h3H,1H3.
What are the key properties of 4-hydroxy-4-methyl-1,3,2,4-dioxadisiletane 2-oxide?
4-hydroxy-4-methyl-1,3,2,4-dioxadisiletane 2-oxide has a molecular weight of 136.21 g/mol, XLogP of -0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-methyl-1,3,2,4-dioxadisiletane 2-oxide is sourced from PubChem (CID 141079253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).