bis(2,3,4-tributoxyphenyl)silyloxy-bis(2,3,4-tributoxyphenyl)silane

C72H118O13Si2 — CID 137329899

IUPACbis(2,3,4-tributoxyphenyl)silyloxy-bis(2,3,4-tributoxyphenyl)silane
SMILESCCCCOc1ccc([SiH](O[SiH](c2ccc(OCCCC)c(OCCCC)c2OCCCC)c2ccc(OCCCC)c(OCCCC)c2OCCCC)c2ccc(OCCCC)c(OCCCC)c2OCCCC)c(OCCCC)c1OCCCC
InChIInChI=1S/C72H118O13Si2/c1-13-25-45-73-57-37-41-61(69(81-53-33-21-9)65(57)77-49-29-17-5)86(62-42-38-58(74-46-26-14-2)66(78-50-30-18-6)70(62)82-54-34-22-10)85-87(63-43-39-59(75-47-27-15-3)67(79-51-31-19-7)71(63)83-55-35-23-11)64-44-40-60(76-48-28-16-4)68(80-52-32-20-8)72(64)84-56-36-24-12/h37-44,86-87H,13-36,45-56H2,1-12H3
InChIKeyDAYJIHNDZKMEMZ-UHFFFAOYSA-N
MW1247.89 g/mol
LogP16.23
Rot. Bonds54

About bis(2,3,4-tributoxyphenyl)silyloxy-bis(2,3,4-tributoxyphenyl)silane

bis(2,3,4-tributoxyphenyl)silyloxy-bis(2,3,4-tributoxyphenyl)silane (PubChem CID 137329899) has the molecular formula C72H118O13Si2 and a molecular weight of 1247.89 g/mol. Its IUPAC name is bis(2,3,4-tributoxyphenyl)silyloxy-bis(2,3,4-tributoxyphenyl)silane.

Molecular Properties

Compound Namebis(2,3,4-tributoxyphenyl)silyloxy-bis(2,3,4-tributoxyphenyl)silane
PubChem CID137329899
Molecular FormulaC72H118O13Si2
Molecular Weight1247.89 g/mol
Exact Mass1246.81
IUPAC Namebis(2,3,4-tributoxyphenyl)silyloxy-bis(2,3,4-tributoxyphenyl)silane
SMILESCCCCOc1ccc([SiH](O[SiH](c2ccc(OCCCC)c(OCCCC)c2OCCCC)c2ccc(OCCCC)c(OCCCC)c2OCCCC)c2ccc(OCCCC)c(OCCCC)c2OCCCC)c(OCCCC)c1OCCCC
InChIInChI=1S/C72H118O13Si2/c1-13-25-45-73-57-37-41-61(69(81-53-33-21-9)65(57)77-49-29-17-5)86(62-42-38-58(74-46-26-14-2)66(78-50-30-18-6)70(62)82-54-34-22-10)85-87(63-43-39-59(75-47-27-15-3)67(79-51-31-19-7)71(63)83-55-35-23-11)64-44-40-60(76-48-28-16-4)68(80-52-32-20-8)72(64)84-56-36-24-12/h37-44,86-87H,13-36,45-56H2,1-12H3
InChIKeyDAYJIHNDZKMEMZ-UHFFFAOYSA-N
XLogP16.23
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds54
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001247.89
LogP ≤ 516.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

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CID 21304164
1,2,3-trihexadecoxybenzene
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2,3,4-tributoxyborinine
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Frequently Asked Questions

What is the IUPAC name of bis(2,3,4-tributoxyphenyl)silyloxy-bis(2,3,4-tributoxyphenyl)silane?
The IUPAC name of bis(2,3,4-tributoxyphenyl)silyloxy-bis(2,3,4-tributoxyphenyl)silane (CID 137329899) is bis(2,3,4-tributoxyphenyl)silyloxy-bis(2,3,4-tributoxyphenyl)silane.
What is the SMILES notation for bis(2,3,4-tributoxyphenyl)silyloxy-bis(2,3,4-tributoxyphenyl)silane?
The canonical SMILES for bis(2,3,4-tributoxyphenyl)silyloxy-bis(2,3,4-tributoxyphenyl)silane is CCCCOc1ccc([SiH](O[SiH](c2ccc(OCCCC)c(OCCCC)c2OCCCC)c2ccc(OCCCC)c(OCCCC)c2OCCCC)c2ccc(OCCCC)c(OCCCC)c2OCCCC)c(OCCCC)c1OCCCC.
What is the InChIKey of bis(2,3,4-tributoxyphenyl)silyloxy-bis(2,3,4-tributoxyphenyl)silane?
The InChIKey is DAYJIHNDZKMEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H118O13Si2/c1-13-25-45-73-57-37-41-61(69(81-53-33-21-9)65(57)77-49-29-17-5)86(62-42-38-58(74-46-26-14-2)66(78-50-30-18-6)70(62)82-54-34-22-10)85-87(63-43-39-59(75-47-27-15-3)67(79-51-31-19-7)71(63)83-55-35-23-11)64-44-40-60(76-48-28-16-4)68(80-52-32-20-8)72(64)84-56-36-24-12/h37-44,86-87H,13-36,45-56H2,1-12H3.
What are the key properties of bis(2,3,4-tributoxyphenyl)silyloxy-bis(2,3,4-tributoxyphenyl)silane?
bis(2,3,4-tributoxyphenyl)silyloxy-bis(2,3,4-tributoxyphenyl)silane has a molecular weight of 1247.89 g/mol, XLogP of 16.23, 54 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4-tributoxyphenyl)silyloxy-bis(2,3,4-tributoxyphenyl)silane is sourced from PubChem (CID 137329899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).