bis(3-tert-butyl-4-methoxyphenyl)silyloxy-bis(3-tert-butyl-4-methoxyphenyl)silane

C44H62O5Si2 — CID 137329780

IUPACbis(3-tert-butyl-4-methoxyphenyl)silyloxy-bis(3-tert-butyl-4-methoxyphenyl)silane
SMILESCOc1ccc([SiH](O[SiH](c2ccc(OC)c(C(C)(C)C)c2)c2ccc(OC)c(C(C)(C)C)c2)c2ccc(OC)c(C(C)(C)C)c2)cc1C(C)(C)C
InChIInChI=1S/C44H62O5Si2/c1-41(2,3)33-25-29(17-21-37(33)45-13)50(30-18-22-38(46-14)34(26-30)42(4,5)6)49-51(31-19-23-39(47-15)35(27-31)43(7,8)9)32-20-24-40(48-16)36(28-32)44(10,11)12/h17-28,50-51H,1-16H3
InChIKeyUHAUPNIPCZYPFD-UHFFFAOYSA-N
MW727.15 g/mol
LogP7.30
Rot. Bonds10

About bis(3-tert-butyl-4-methoxyphenyl)silyloxy-bis(3-tert-butyl-4-methoxyphenyl)silane

bis(3-tert-butyl-4-methoxyphenyl)silyloxy-bis(3-tert-butyl-4-methoxyphenyl)silane (PubChem CID 137329780) has the molecular formula C44H62O5Si2 and a molecular weight of 727.15 g/mol. Its IUPAC name is bis(3-tert-butyl-4-methoxyphenyl)silyloxy-bis(3-tert-butyl-4-methoxyphenyl)silane.

Molecular Properties

Compound Namebis(3-tert-butyl-4-methoxyphenyl)silyloxy-bis(3-tert-butyl-4-methoxyphenyl)silane
PubChem CID137329780
Molecular FormulaC44H62O5Si2
Molecular Weight727.15 g/mol
Exact Mass726.41
IUPAC Namebis(3-tert-butyl-4-methoxyphenyl)silyloxy-bis(3-tert-butyl-4-methoxyphenyl)silane
SMILESCOc1ccc([SiH](O[SiH](c2ccc(OC)c(C(C)(C)C)c2)c2ccc(OC)c(C(C)(C)C)c2)c2ccc(OC)c(C(C)(C)C)c2)cc1C(C)(C)C
InChIInChI=1S/C44H62O5Si2/c1-41(2,3)33-25-29(17-21-37(33)45-13)50(30-18-22-38(46-14)34(26-30)42(4,5)6)49-51(31-19-23-39(47-15)35(27-31)43(7,8)9)32-20-24-40(48-16)36(28-32)44(10,11)12/h17-28,50-51H,1-16H3
InChIKeyUHAUPNIPCZYPFD-UHFFFAOYSA-N
XLogP7.30
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.15
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

amino-(3-tert-butyl-4-methoxyphenyl)methanol
CID 116939595
3-tert-butyl-4-methoxybenzaldehyde
CID 3774604
1-(3-tert-butyl-4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932438
4-(3-tert-butyl-4-methoxyphenyl)pentane-1,4-diol
CID 116861537
1-(3-tert-butyl-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939282
1-(3-tert-butyl-4-methoxyphenyl)-1-methoxy-N-methylmethanamine
CID 116961454
1-(3-tert-butyl-4-methoxyphenyl)propan-1-amine
CID 82048896
2-(3-tert-butyl-4-methoxyphenyl)-2-methyloxirane
CID 82048860
2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82129591
2-tert-butyl-1-methoxy-4-propan-2-yloxybenzene
CID 13056323
4-(2-bromoethyl)-2-tert-butyl-1-methoxybenzene
CID 82488264
3-(3-tert-butyl-4-methoxyanilino)propan-1-ol
CID 115216613

Frequently Asked Questions

What is the IUPAC name of bis(3-tert-butyl-4-methoxyphenyl)silyloxy-bis(3-tert-butyl-4-methoxyphenyl)silane?
The IUPAC name of bis(3-tert-butyl-4-methoxyphenyl)silyloxy-bis(3-tert-butyl-4-methoxyphenyl)silane (CID 137329780) is bis(3-tert-butyl-4-methoxyphenyl)silyloxy-bis(3-tert-butyl-4-methoxyphenyl)silane.
What is the SMILES notation for bis(3-tert-butyl-4-methoxyphenyl)silyloxy-bis(3-tert-butyl-4-methoxyphenyl)silane?
The canonical SMILES for bis(3-tert-butyl-4-methoxyphenyl)silyloxy-bis(3-tert-butyl-4-methoxyphenyl)silane is COc1ccc([SiH](O[SiH](c2ccc(OC)c(C(C)(C)C)c2)c2ccc(OC)c(C(C)(C)C)c2)c2ccc(OC)c(C(C)(C)C)c2)cc1C(C)(C)C.
What is the InChIKey of bis(3-tert-butyl-4-methoxyphenyl)silyloxy-bis(3-tert-butyl-4-methoxyphenyl)silane?
The InChIKey is UHAUPNIPCZYPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H62O5Si2/c1-41(2,3)33-25-29(17-21-37(33)45-13)50(30-18-22-38(46-14)34(26-30)42(4,5)6)49-51(31-19-23-39(47-15)35(27-31)43(7,8)9)32-20-24-40(48-16)36(28-32)44(10,11)12/h17-28,50-51H,1-16H3.
What are the key properties of bis(3-tert-butyl-4-methoxyphenyl)silyloxy-bis(3-tert-butyl-4-methoxyphenyl)silane?
bis(3-tert-butyl-4-methoxyphenyl)silyloxy-bis(3-tert-butyl-4-methoxyphenyl)silane has a molecular weight of 727.15 g/mol, XLogP of 7.30, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-tert-butyl-4-methoxyphenyl)silyloxy-bis(3-tert-butyl-4-methoxyphenyl)silane is sourced from PubChem (CID 137329780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).