dibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane

C22H50O4Si2 — CID 87144867

IUPACdibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane
SMILESCCCCO[Si](C)(CCCC[Si](C)(OCCCC)OCCCC)OCCCC
InChIInChI=1S/C22H50O4Si2/c1-7-11-17-23-27(5,24-18-12-8-2)21-15-16-22-28(6,25-19-13-9-3)26-20-14-10-4/h7-22H2,1-6H3
InChIKeyININVWDAQJHBGZ-UHFFFAOYSA-N
MW434.81 g/mol
LogP7.18
Rot. Bonds21

About dibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane

dibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane (PubChem CID 87144867) has the molecular formula C22H50O4Si2 and a molecular weight of 434.81 g/mol. Its IUPAC name is dibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane.

Molecular Properties

Compound Namedibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane
PubChem CID87144867
Molecular FormulaC22H50O4Si2
Molecular Weight434.81 g/mol
Exact Mass434.32
IUPAC Namedibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane
SMILESCCCCO[Si](C)(CCCC[Si](C)(OCCCC)OCCCC)OCCCC
InChIInChI=1S/C22H50O4Si2/c1-7-11-17-23-27(5,24-18-12-8-2)21-15-16-22-28(6,25-19-13-9-3)26-20-14-10-4/h7-22H2,1-6H3
InChIKeyININVWDAQJHBGZ-UHFFFAOYSA-N
XLogP7.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.81
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

dibutoxy-methyl-octylsilane
CID 54173263
hexadecyl-methyl-dipropoxysilane
CID 22228671
decyl-methyl-dipropoxysilane
CID 22228658
dibutoxy-(2-ethoxyethyl)-methylsilane
CID 58512810
diethoxy-methyl-undecylsilane
CID 140884401
3-[dibutoxy(methyl)silyl]propyl prop-2-enoate
CID 21432061
11-[dihexoxy(methyl)silyl]undecyl 2-methylprop-2-enoate
CID 142567348
butoxy-iodo-dimethylsilane
CID 88777497
butoxy(tributyl)silane
CID 594608
dodecoxy-dimethyl-octylsilane
CID 618139
hexadecoxy-dimethyl-octylsilane
CID 627002
dibutoxy-[4-[dibutoxy(propan-2-yl)silyl]butyl]-propan-2-ylsilane
CID 87144336

Frequently Asked Questions

What is the IUPAC name of dibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane?
The IUPAC name of dibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane (CID 87144867) is dibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane.
What is the SMILES notation for dibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane?
The canonical SMILES for dibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane is CCCCO[Si](C)(CCCC[Si](C)(OCCCC)OCCCC)OCCCC.
What is the InChIKey of dibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane?
The InChIKey is ININVWDAQJHBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50O4Si2/c1-7-11-17-23-27(5,24-18-12-8-2)21-15-16-22-28(6,25-19-13-9-3)26-20-14-10-4/h7-22H2,1-6H3.
What are the key properties of dibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane?
dibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane has a molecular weight of 434.81 g/mol, XLogP of 7.18, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-[4-[dibutoxy(methyl)silyl]butyl]-methylsilane is sourced from PubChem (CID 87144867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).