2-trimethylsilyloxy-1,3,5-trioxan-2-ol

C6H14O5Si — CID 87642143

IUPAC2-trimethylsilyloxy-1,3,5-trioxan-2-ol
SMILESC[Si](C)(C)OC1(O)OCOCO1
InChIInChI=1S/C6H14O5Si/c1-12(2,3)11-6(7)9-4-8-5-10-6/h7H,4-5H2,1-3H3
InChIKeyINSUMXMVIPMXBA-UHFFFAOYSA-N
MW194.26 g/mol
LogP0.42
Rot. Bonds2

About 2-trimethylsilyloxy-1,3,5-trioxan-2-ol

2-trimethylsilyloxy-1,3,5-trioxan-2-ol (PubChem CID 87642143) has the molecular formula C6H14O5Si and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-trimethylsilyloxy-1,3,5-trioxan-2-ol.

Molecular Properties

Compound Name2-trimethylsilyloxy-1,3,5-trioxan-2-ol
PubChem CID87642143
Molecular FormulaC6H14O5Si
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name2-trimethylsilyloxy-1,3,5-trioxan-2-ol
SMILESC[Si](C)(C)OC1(O)OCOCO1
InChIInChI=1S/C6H14O5Si/c1-12(2,3)11-6(7)9-4-8-5-10-6/h7H,4-5H2,1-3H3
InChIKeyINSUMXMVIPMXBA-UHFFFAOYSA-N
XLogP0.42
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Trimethyl(1,3,5-trioxan-2-ylperoxy)silane
CID 88001011

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilyloxy-1,3,5-trioxan-2-ol?
The IUPAC name of 2-trimethylsilyloxy-1,3,5-trioxan-2-ol (CID 87642143) is 2-trimethylsilyloxy-1,3,5-trioxan-2-ol.
What is the SMILES notation for 2-trimethylsilyloxy-1,3,5-trioxan-2-ol?
The canonical SMILES for 2-trimethylsilyloxy-1,3,5-trioxan-2-ol is C[Si](C)(C)OC1(O)OCOCO1.
What is the InChIKey of 2-trimethylsilyloxy-1,3,5-trioxan-2-ol?
The InChIKey is INSUMXMVIPMXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5Si/c1-12(2,3)11-6(7)9-4-8-5-10-6/h7H,4-5H2,1-3H3.
What are the key properties of 2-trimethylsilyloxy-1,3,5-trioxan-2-ol?
2-trimethylsilyloxy-1,3,5-trioxan-2-ol has a molecular weight of 194.26 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloxy-1,3,5-trioxan-2-ol is sourced from PubChem (CID 87642143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).