dihydroxy-bis(2,4,6-tritert-butylphenoxy)silane

C36H60O4Si — CID 101416642

IUPACdihydroxy-bis(2,4,6-tritert-butylphenoxy)silane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(O[Si](O)(O)Oc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C36H60O4Si/c1-31(2,3)23-19-25(33(7,8)9)29(26(20-23)34(10,11)12)39-41(37,38)40-30-27(35(13,14)15)21-24(32(4,5)6)22-28(30)36(16,17)18/h19-22,37-38H,1-18H3
InChIKeyFMWVENYJYYIZMV-UHFFFAOYSA-N
MW584.96 g/mol
LogP9.35
Rot. Bonds4

About dihydroxy-bis(2,4,6-tritert-butylphenoxy)silane

dihydroxy-bis(2,4,6-tritert-butylphenoxy)silane (PubChem CID 101416642) has the molecular formula C36H60O4Si and a molecular weight of 584.96 g/mol. Its IUPAC name is dihydroxy-bis(2,4,6-tritert-butylphenoxy)silane.

Molecular Properties

Compound Namedihydroxy-bis(2,4,6-tritert-butylphenoxy)silane
PubChem CID101416642
Molecular FormulaC36H60O4Si
Molecular Weight584.96 g/mol
Exact Mass584.43
IUPAC Namedihydroxy-bis(2,4,6-tritert-butylphenoxy)silane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(O[Si](O)(O)Oc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C36H60O4Si/c1-31(2,3)23-19-25(33(7,8)9)29(26(20-23)34(10,11)12)39-41(37,38)40-30-27(35(13,14)15)21-24(32(4,5)6)22-28(30)36(16,17)18/h19-22,37-38H,1-18H3
InChIKeyFMWVENYJYYIZMV-UHFFFAOYSA-N
XLogP9.35
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.96
LogP ≤ 59.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile
CID 134900930
dihydroxy-(2,4,6-tritert-butylphenyl)peroxysilane
CID 162081075
(2,4,6-tritert-butylphenyl) dihydrogen phosphate
CID 66794028
(2,4,6-tritert-butylphenyl) nitrite
CID 14950011
(2,4,6-tritert-butylphenyl) methanesulfonate
CID 87391477
1,5-ditert-butyl-3-iodo-2-methoxybenzene
CID 13068630
1,5-ditert-butyl-3-chloro-2-methoxybenzene
CID 154097245
1,2,3,5-tetratert-butylbenzene
CID 18679123
chloro-(2,6-ditert-butyl-4-methylphenoxy)-dimethylsilane
CID 13254327
2,4-ditert-butyl-6-[(2-methylpropan-2-yl)oxy]phenol
CID 102348051
tert-butyl [2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propan-2-yl]phenyl] carbonate
CID 118443320
2,4,6-tris[(3,5-ditert-butyl-2-methoxyphenyl)methyl]-1,3,5-triazine
CID 132609953

Frequently Asked Questions

What is the IUPAC name of dihydroxy-bis(2,4,6-tritert-butylphenoxy)silane?
The IUPAC name of dihydroxy-bis(2,4,6-tritert-butylphenoxy)silane (CID 101416642) is dihydroxy-bis(2,4,6-tritert-butylphenoxy)silane.
What is the SMILES notation for dihydroxy-bis(2,4,6-tritert-butylphenoxy)silane?
The canonical SMILES for dihydroxy-bis(2,4,6-tritert-butylphenoxy)silane is CC(C)(C)c1cc(C(C)(C)C)c(O[Si](O)(O)Oc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of dihydroxy-bis(2,4,6-tritert-butylphenoxy)silane?
The InChIKey is FMWVENYJYYIZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H60O4Si/c1-31(2,3)23-19-25(33(7,8)9)29(26(20-23)34(10,11)12)39-41(37,38)40-30-27(35(13,14)15)21-24(32(4,5)6)22-28(30)36(16,17)18/h19-22,37-38H,1-18H3.
What are the key properties of dihydroxy-bis(2,4,6-tritert-butylphenoxy)silane?
dihydroxy-bis(2,4,6-tritert-butylphenoxy)silane has a molecular weight of 584.96 g/mol, XLogP of 9.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-bis(2,4,6-tritert-butylphenoxy)silane is sourced from PubChem (CID 101416642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).