2,6-dimethyl-4-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropyl]phenol

C14H30O10Si4 — CID 58961506

IUPAC2,6-dimethyl-4-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropyl]phenol
SMILESCc1cc(CCC[Si](O[Si](C)(O)O)(O[Si](C)(O)O)O[Si](C)(O)O)cc(C)c1O
InChIInChI=1S/C14H30O10Si4/c1-11-9-13(10-12(2)14(11)15)7-6-8-28(22-25(3,16)17,23-26(4,18)19)24-27(5,20)21/h9-10,15-21H,6-8H2,1-5H3
InChIKeyLUEPVBAJIUURBX-UHFFFAOYSA-N
MW470.73 g/mol
LogP-0.41
Rot. Bonds10

About 2,6-dimethyl-4-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropyl]phenol

2,6-dimethyl-4-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropyl]phenol (PubChem CID 58961506) has the molecular formula C14H30O10Si4 and a molecular weight of 470.73 g/mol. Its IUPAC name is 2,6-dimethyl-4-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropyl]phenol
PubChem CID58961506
Molecular FormulaC14H30O10Si4
Molecular Weight470.73 g/mol
Exact Mass470.09
IUPAC Name2,6-dimethyl-4-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropyl]phenol
SMILESCc1cc(CCC[Si](O[Si](C)(O)O)(O[Si](C)(O)O)O[Si](C)(O)O)cc(C)c1O
InChIInChI=1S/C14H30O10Si4/c1-11-9-13(10-12(2)14(11)15)7-6-8-28(22-25(3,16)17,23-26(4,18)19)24-27(5,20)21/h9-10,15-21H,6-8H2,1-5H3
InChIKeyLUEPVBAJIUURBX-UHFFFAOYSA-N
XLogP-0.41
TPSA169.30 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.73
LogP ≤ 5-0.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

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 2,6-dimethyl-4-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropyl]phenol (CID 58961506) is 2,6-dimethyl-4-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropyl]phenol is Cc1cc(CCC[Si](O[Si](C)(O)O)(O[Si](C)(O)O)O[Si](C)(O)O)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropyl]phenol?
The InChIKey is LUEPVBAJIUURBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O10Si4/c1-11-9-13(10-12(2)14(11)15)7-6-8-28(22-25(3,16)17,23-26(4,18)19)24-27(5,20)21/h9-10,15-21H,6-8H2,1-5H3.
What are the key properties of 2,6-dimethyl-4-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropyl]phenol?
2,6-dimethyl-4-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropyl]phenol has a molecular weight of 470.73 g/mol, XLogP of -0.41, 10 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[3-tris[[dihydroxy(methyl)silyl]oxy]silylpropyl]phenol is sourced from PubChem (CID 58961506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).