2,2,4-trimethyl-1,3,5,2,4,6-trioxatrisilinane

C3H12O3Si3 — CID 123709601

IUPAC2,2,4-trimethyl-1,3,5,2,4,6-trioxatrisilinane
SMILESC[SiH]1O[SiH2]O[Si](C)(C)O1
InChIInChI=1S/C3H12O3Si3/c1-8-4-7-5-9(2,3)6-8/h8H,7H2,1-3H3
InChIKeySBCHXTSMGXUKFQ-UHFFFAOYSA-N
MW180.38 g/mol
LogP-0.40
Rot. Bonds

About 2,2,4-trimethyl-1,3,5,2,4,6-trioxatrisilinane

2,2,4-trimethyl-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 123709601) has the molecular formula C3H12O3Si3 and a molecular weight of 180.38 g/mol. Its IUPAC name is 2,2,4-trimethyl-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2,2,4-trimethyl-1,3,5,2,4,6-trioxatrisilinane
PubChem CID123709601
Molecular FormulaC3H12O3Si3
Molecular Weight180.38 g/mol
Exact Mass180.01
IUPAC Name2,2,4-trimethyl-1,3,5,2,4,6-trioxatrisilinane
SMILESC[SiH]1O[SiH2]O[Si](C)(C)O1
InChIInChI=1S/C3H12O3Si3/c1-8-4-7-5-9(2,3)6-8/h8H,7H2,1-3H3
InChIKeySBCHXTSMGXUKFQ-UHFFFAOYSA-N
XLogP-0.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.38
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2,2,4-trimethyl-1,3,5,2,4,6-trioxatrisilinane (CID 123709601) is 2,2,4-trimethyl-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2,2,4-trimethyl-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2,2,4-trimethyl-1,3,5,2,4,6-trioxatrisilinane is C[SiH]1O[SiH2]O[Si](C)(C)O1.
What is the InChIKey of 2,2,4-trimethyl-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is SBCHXTSMGXUKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12O3Si3/c1-8-4-7-5-9(2,3)6-8/h8H,7H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-1,3,5,2,4,6-trioxatrisilinane?
2,2,4-trimethyl-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 180.38 g/mol, XLogP of -0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 123709601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).