bis(4-butoxy-3-methylphenyl)silyloxy-bis(4-butoxy-3-methylphenyl)silane

C44H62O5Si2 — CID 137329614

IUPACbis(4-butoxy-3-methylphenyl)silyloxy-bis(4-butoxy-3-methylphenyl)silane
SMILESCCCCOc1ccc([SiH](O[SiH](c2ccc(OCCCC)c(C)c2)c2ccc(OCCCC)c(C)c2)c2ccc(OCCCC)c(C)c2)cc1C
InChIInChI=1S/C44H62O5Si2/c1-9-13-25-45-41-21-17-37(29-33(41)5)50(38-18-22-42(34(6)30-38)46-26-14-10-2)49-51(39-19-23-43(35(7)31-39)47-27-15-11-3)40-20-24-44(36(8)32-40)48-28-16-12-4/h17-24,29-32,50-51H,9-16,25-28H2,1-8H3
InChIKeyYCLBSWCJBZYDQA-UHFFFAOYSA-N
MW727.15 g/mol
LogP8.03
Rot. Bonds22

About bis(4-butoxy-3-methylphenyl)silyloxy-bis(4-butoxy-3-methylphenyl)silane

bis(4-butoxy-3-methylphenyl)silyloxy-bis(4-butoxy-3-methylphenyl)silane (PubChem CID 137329614) has the molecular formula C44H62O5Si2 and a molecular weight of 727.15 g/mol. Its IUPAC name is bis(4-butoxy-3-methylphenyl)silyloxy-bis(4-butoxy-3-methylphenyl)silane.

Molecular Properties

Compound Namebis(4-butoxy-3-methylphenyl)silyloxy-bis(4-butoxy-3-methylphenyl)silane
PubChem CID137329614
Molecular FormulaC44H62O5Si2
Molecular Weight727.15 g/mol
Exact Mass726.41
IUPAC Namebis(4-butoxy-3-methylphenyl)silyloxy-bis(4-butoxy-3-methylphenyl)silane
SMILESCCCCOc1ccc([SiH](O[SiH](c2ccc(OCCCC)c(C)c2)c2ccc(OCCCC)c(C)c2)c2ccc(OCCCC)c(C)c2)cc1C
InChIInChI=1S/C44H62O5Si2/c1-9-13-25-45-41-21-17-37(29-33(41)5)50(38-18-22-42(34(6)30-38)46-26-14-10-2)49-51(39-19-23-43(35(7)31-39)47-27-15-11-3)40-20-24-44(36(8)32-40)48-28-16-12-4/h17-24,29-32,50-51H,9-16,25-28H2,1-8H3
InChIKeyYCLBSWCJBZYDQA-UHFFFAOYSA-N
XLogP8.03
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.15
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
2-(4-butoxy-3-methylphenoxy)-N-methylethanamine
CID 123497187
bis(2,3,4-tributoxyphenyl)silyloxy-bis(2,3,4-tributoxyphenyl)silane
CID 137329899
1-dodecoxy-4-[4-(4-dodecoxyphenyl)phenyl]-2-methylbenzene
CID 59593849
4-butoxy-3-methylbenzenesulfonamide
CID 43164510
1-butoxy-4-methoxy-2,5-dimethylbenzene
CID 58371109
3-butoxy-4-methylphenol
CID 54016675
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
trifluoro-(3-methyl-4-pentoxyphenyl)boranuide
CID 63677890
1-(4-butoxy-3-methylphenyl)-2,2,2-trifluoroethanone
CID 91656292
4-butoxy-3-methylbenzenecarboximidamide
CID 60929965
ethyl 2-(4-butoxy-3-methylphenyl)acetate
CID 154174708

Frequently Asked Questions

What is the IUPAC name of bis(4-butoxy-3-methylphenyl)silyloxy-bis(4-butoxy-3-methylphenyl)silane?
The IUPAC name of bis(4-butoxy-3-methylphenyl)silyloxy-bis(4-butoxy-3-methylphenyl)silane (CID 137329614) is bis(4-butoxy-3-methylphenyl)silyloxy-bis(4-butoxy-3-methylphenyl)silane.
What is the SMILES notation for bis(4-butoxy-3-methylphenyl)silyloxy-bis(4-butoxy-3-methylphenyl)silane?
The canonical SMILES for bis(4-butoxy-3-methylphenyl)silyloxy-bis(4-butoxy-3-methylphenyl)silane is CCCCOc1ccc([SiH](O[SiH](c2ccc(OCCCC)c(C)c2)c2ccc(OCCCC)c(C)c2)c2ccc(OCCCC)c(C)c2)cc1C.
What is the InChIKey of bis(4-butoxy-3-methylphenyl)silyloxy-bis(4-butoxy-3-methylphenyl)silane?
The InChIKey is YCLBSWCJBZYDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H62O5Si2/c1-9-13-25-45-41-21-17-37(29-33(41)5)50(38-18-22-42(34(6)30-38)46-26-14-10-2)49-51(39-19-23-43(35(7)31-39)47-27-15-11-3)40-20-24-44(36(8)32-40)48-28-16-12-4/h17-24,29-32,50-51H,9-16,25-28H2,1-8H3.
What are the key properties of bis(4-butoxy-3-methylphenyl)silyloxy-bis(4-butoxy-3-methylphenyl)silane?
bis(4-butoxy-3-methylphenyl)silyloxy-bis(4-butoxy-3-methylphenyl)silane has a molecular weight of 727.15 g/mol, XLogP of 8.03, 22 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-butoxy-3-methylphenyl)silyloxy-bis(4-butoxy-3-methylphenyl)silane is sourced from PubChem (CID 137329614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).