2-(4-methylphenyl)-1,3,5,2,4,6-trioxatrisilinane

C7H12O3Si3 — CID 154124600

IUPAC2-(4-methylphenyl)-1,3,5,2,4,6-trioxatrisilinane
SMILESCc1ccc([SiH]2O[SiH2]O[SiH2]O2)cc1
InChIInChI=1S/C7H12O3Si3/c1-6-2-4-7(5-3-6)13-9-11-8-12-10-13/h2-5,13H,11-12H2,1H3
InChIKeyRMIRSVDHNAGZKF-UHFFFAOYSA-N
MW228.43 g/mol
LogP-1.52
Rot. Bonds1

About 2-(4-methylphenyl)-1,3,5,2,4,6-trioxatrisilinane

2-(4-methylphenyl)-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 154124600) has the molecular formula C7H12O3Si3 and a molecular weight of 228.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,3,5,2,4,6-trioxatrisilinane
PubChem CID154124600
Molecular FormulaC7H12O3Si3
Molecular Weight228.43 g/mol
Exact Mass228.01
IUPAC Name2-(4-methylphenyl)-1,3,5,2,4,6-trioxatrisilinane
SMILESCc1ccc([SiH]2O[SiH2]O[SiH2]O2)cc1
InChIInChI=1S/C7H12O3Si3/c1-6-2-4-7(5-3-6)13-9-11-8-12-10-13/h2-5,13H,11-12H2,1H3
InChIKeyRMIRSVDHNAGZKF-UHFFFAOYSA-N
XLogP-1.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.43
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-1,3,2,4-dioxadisiletane
CID 123360837
platinum;1,4-xylene
CID 173034643
cobalt;bis(1,4-xylene)
CID 67859603
methane;pentakis(1,4-xylene)
CID 160760083
methane;propane;1,4-xylene
CID 160778309
methane;propane;1,4-xylene
CID 143560264
potassium;hydride;1,4-xylene
CID 173420414
lithium;hydride;1,4-xylene
CID 173349078
benzene;bis(1,4-xylene)
CID 159472747
1-(4-methylphenyl)siletane
CID 15134739
N,4-dimethylaniline;methane
CID 159702289
N,4-dimethylaniline;ethane
CID 90758225

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 2-(4-methylphenyl)-1,3,5,2,4,6-trioxatrisilinane (CID 154124600) is 2-(4-methylphenyl)-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 2-(4-methylphenyl)-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 2-(4-methylphenyl)-1,3,5,2,4,6-trioxatrisilinane is Cc1ccc([SiH]2O[SiH2]O[SiH2]O2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is RMIRSVDHNAGZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3Si3/c1-6-2-4-7(5-3-6)13-9-11-8-12-10-13/h2-5,13H,11-12H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1,3,5,2,4,6-trioxatrisilinane?
2-(4-methylphenyl)-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 228.43 g/mol, XLogP of -1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 154124600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).