(2,3-ditert-butylphenoxy)-[4-(2,3-ditert-butylphenoxy)silylphenyl]silane

C34H50O2Si2 — CID 173017170

IUPAC(2,3-ditert-butylphenoxy)-[4-(2,3-ditert-butylphenoxy)silylphenyl]silane
SMILESCC(C)(C)c1cccc(O[SiH2]c2ccc([SiH2]Oc3cccc(C(C)(C)C)c3C(C)(C)C)cc2)c1C(C)(C)C
InChIInChI=1S/C34H50O2Si2/c1-31(2,3)25-15-13-17-27(29(25)33(7,8)9)35-37-23-19-21-24(22-20-23)38-36-28-18-14-16-26(32(4,5)6)30(28)34(10,11)12/h13-22H,37-38H2,1-12H3
InChIKeySJNCDVYYJSMXPL-UHFFFAOYSA-N
MW546.94 g/mol
LogP6.45
Rot. Bonds6

About (2,3-ditert-butylphenoxy)-[4-(2,3-ditert-butylphenoxy)silylphenyl]silane

(2,3-ditert-butylphenoxy)-[4-(2,3-ditert-butylphenoxy)silylphenyl]silane (PubChem CID 173017170) has the molecular formula C34H50O2Si2 and a molecular weight of 546.94 g/mol. Its IUPAC name is (2,3-ditert-butylphenoxy)-[4-(2,3-ditert-butylphenoxy)silylphenyl]silane.

Molecular Properties

Compound Name(2,3-ditert-butylphenoxy)-[4-(2,3-ditert-butylphenoxy)silylphenyl]silane
PubChem CID173017170
Molecular FormulaC34H50O2Si2
Molecular Weight546.94 g/mol
Exact Mass546.33
IUPAC Name(2,3-ditert-butylphenoxy)-[4-(2,3-ditert-butylphenoxy)silylphenyl]silane
SMILESCC(C)(C)c1cccc(O[SiH2]c2ccc([SiH2]Oc3cccc(C(C)(C)C)c3C(C)(C)C)cc2)c1C(C)(C)C
InChIInChI=1S/C34H50O2Si2/c1-31(2,3)25-15-13-17-27(29(25)33(7,8)9)35-37-23-19-21-24(22-20-23)38-36-28-18-14-16-26(32(4,5)6)30(28)34(10,11)12/h13-22H,37-38H2,1-12H3
InChIKeySJNCDVYYJSMXPL-UHFFFAOYSA-N
XLogP6.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.94
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2,3-ditert-butylphenoxy)-[4-(2,3-ditert-butylphenoxy)silylphenyl]silane?
The IUPAC name of (2,3-ditert-butylphenoxy)-[4-(2,3-ditert-butylphenoxy)silylphenyl]silane (CID 173017170) is (2,3-ditert-butylphenoxy)-[4-(2,3-ditert-butylphenoxy)silylphenyl]silane.
What is the SMILES notation for (2,3-ditert-butylphenoxy)-[4-(2,3-ditert-butylphenoxy)silylphenyl]silane?
The canonical SMILES for (2,3-ditert-butylphenoxy)-[4-(2,3-ditert-butylphenoxy)silylphenyl]silane is CC(C)(C)c1cccc(O[SiH2]c2ccc([SiH2]Oc3cccc(C(C)(C)C)c3C(C)(C)C)cc2)c1C(C)(C)C.
What is the InChIKey of (2,3-ditert-butylphenoxy)-[4-(2,3-ditert-butylphenoxy)silylphenyl]silane?
The InChIKey is SJNCDVYYJSMXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50O2Si2/c1-31(2,3)25-15-13-17-27(29(25)33(7,8)9)35-37-23-19-21-24(22-20-23)38-36-28-18-14-16-26(32(4,5)6)30(28)34(10,11)12/h13-22H,37-38H2,1-12H3.
What are the key properties of (2,3-ditert-butylphenoxy)-[4-(2,3-ditert-butylphenoxy)silylphenyl]silane?
(2,3-ditert-butylphenoxy)-[4-(2,3-ditert-butylphenoxy)silylphenyl]silane has a molecular weight of 546.94 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-ditert-butylphenoxy)-[4-(2,3-ditert-butylphenoxy)silylphenyl]silane is sourced from PubChem (CID 173017170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).