dihydroxy-bis(3-methylphenyl)silane;dihydroxy(diphenyl)silane

C26H28O4Si2 — CID 18695123

IUPACdihydroxy-bis(3-methylphenyl)silane;dihydroxy(diphenyl)silane
SMILESCc1cccc([Si](O)(O)c2cccc(C)c2)c1.O[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16O2Si.C12H12O2Si/c1-11-5-3-7-13(9-11)17(15,16)14-8-4-6-12(2)10-14;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h3-10,15-16H,1-2H3;1-10,13-14H
InChIKeySEUNICFRIPJCAA-UHFFFAOYSA-N
MW460.68 g/mol
LogP1.07
Rot. Bonds4

About dihydroxy-bis(3-methylphenyl)silane;dihydroxy(diphenyl)silane

dihydroxy-bis(3-methylphenyl)silane;dihydroxy(diphenyl)silane (PubChem CID 18695123) has the molecular formula C26H28O4Si2 and a molecular weight of 460.68 g/mol. Its IUPAC name is dihydroxy-bis(3-methylphenyl)silane;dihydroxy(diphenyl)silane.

Molecular Properties

Compound Namedihydroxy-bis(3-methylphenyl)silane;dihydroxy(diphenyl)silane
PubChem CID18695123
Molecular FormulaC26H28O4Si2
Molecular Weight460.68 g/mol
Exact Mass460.15
IUPAC Namedihydroxy-bis(3-methylphenyl)silane;dihydroxy(diphenyl)silane
SMILESCc1cccc([Si](O)(O)c2cccc(C)c2)c1.O[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16O2Si.C12H12O2Si/c1-11-5-3-7-13(9-11)17(15,16)14-8-4-6-12(2)10-14;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h3-10,15-16H,1-2H3;1-10,13-14H
InChIKeySEUNICFRIPJCAA-UHFFFAOYSA-N
XLogP1.07
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.68
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 dihydroxy-bis(3-methylphenyl)silane;dihydroxy(diphenyl)silane?
The IUPAC name of dihydroxy-bis(3-methylphenyl)silane;dihydroxy(diphenyl)silane (CID 18695123) is dihydroxy-bis(3-methylphenyl)silane;dihydroxy(diphenyl)silane.
What is the SMILES notation for dihydroxy-bis(3-methylphenyl)silane;dihydroxy(diphenyl)silane?
The canonical SMILES for dihydroxy-bis(3-methylphenyl)silane;dihydroxy(diphenyl)silane is Cc1cccc([Si](O)(O)c2cccc(C)c2)c1.O[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of dihydroxy-bis(3-methylphenyl)silane;dihydroxy(diphenyl)silane?
The InChIKey is SEUNICFRIPJCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2Si.C12H12O2Si/c1-11-5-3-7-13(9-11)17(15,16)14-8-4-6-12(2)10-14;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h3-10,15-16H,1-2H3;1-10,13-14H.
What are the key properties of dihydroxy-bis(3-methylphenyl)silane;dihydroxy(diphenyl)silane?
dihydroxy-bis(3-methylphenyl)silane;dihydroxy(diphenyl)silane has a molecular weight of 460.68 g/mol, XLogP of 1.07, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-bis(3-methylphenyl)silane;dihydroxy(diphenyl)silane is sourced from PubChem (CID 18695123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).