[dimethyl(2-methylbutoxy)silyl]oxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane

C18H44O4Si3 — CID 91736050

IUPAC[dimethyl(2-methylbutoxy)silyl]oxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane
SMILESCCCCCCCO[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OCC(C)CC
InChIInChI=1S/C18H44O4Si3/c1-10-12-13-14-15-16-19-23(4,5)21-25(8,9)22-24(6,7)20-17-18(3)11-2/h18H,10-17H2,1-9H3
InChIKeyNYBHMYUWTRBZNS-UHFFFAOYSA-N
MW408.80 g/mol
LogP6.17
Rot. Bonds15

About [dimethyl(2-methylbutoxy)silyl]oxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane

[dimethyl(2-methylbutoxy)silyl]oxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane (PubChem CID 91736050) has the molecular formula C18H44O4Si3 and a molecular weight of 408.80 g/mol. Its IUPAC name is [dimethyl(2-methylbutoxy)silyl]oxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane.

Molecular Properties

Compound Name[dimethyl(2-methylbutoxy)silyl]oxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane
PubChem CID91736050
Molecular FormulaC18H44O4Si3
Molecular Weight408.80 g/mol
Exact Mass408.25
IUPAC Name[dimethyl(2-methylbutoxy)silyl]oxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane
SMILESCCCCCCCO[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OCC(C)CC
InChIInChI=1S/C18H44O4Si3/c1-10-12-13-14-15-16-19-23(4,5)21-25(8,9)22-24(6,7)20-17-18(3)11-2/h18H,10-17H2,1-9H3
InChIKeyNYBHMYUWTRBZNS-UHFFFAOYSA-N
XLogP6.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.80
LogP ≤ 56.17
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

Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
Diheptyloxydimethylsilane
CID 525743
1,10-decanediol, tBDMS
CID 6430197
1,8-octanediol, tBDMS
CID 6430203
Silane, dimethyl(dimethyloctyloxysilyloxy)octyloxy-
CID 91744223
Silane, dimethyl(dimethyldecyloxysilyloxy)decyloxy-
CID 91745235
3,14-Dioxa-2,15-disilahexadecane, 2,2,15,15-tetramethyl-
CID 558272
3,11-Dioxa-2,12-disilatridecane, 2,2,12,12-tetramethyl-
CID 143176
1,7-heptanediol, tBDMS
CID 6427123
Silane, dimethyl(dimethyl(2-ethylbutoxy)silyloxy)dodecyloxy-
CID 91721100
Silane, dimethyl(dimethyl(2-ethylhexyloxy)silyloxy)isobutoxy-
CID 91721103
Silane, dimethyl(dimethyl(2-ethylhexyloxy)silyloxy)(2-ethylhexyloxy)-
CID 91721108

Frequently Asked Questions

What is the IUPAC name of [dimethyl(2-methylbutoxy)silyl]oxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane?
The IUPAC name of [dimethyl(2-methylbutoxy)silyl]oxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane (CID 91736050) is [dimethyl(2-methylbutoxy)silyl]oxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane.
What is the SMILES notation for [dimethyl(2-methylbutoxy)silyl]oxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane?
The canonical SMILES for [dimethyl(2-methylbutoxy)silyl]oxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane is CCCCCCCO[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OCC(C)CC.
What is the InChIKey of [dimethyl(2-methylbutoxy)silyl]oxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane?
The InChIKey is NYBHMYUWTRBZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H44O4Si3/c1-10-12-13-14-15-16-19-23(4,5)21-25(8,9)22-24(6,7)20-17-18(3)11-2/h18H,10-17H2,1-9H3.
What are the key properties of [dimethyl(2-methylbutoxy)silyl]oxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane?
[dimethyl(2-methylbutoxy)silyl]oxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane has a molecular weight of 408.80 g/mol, XLogP of 6.17, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(2-methylbutoxy)silyl]oxy-[heptoxy(dimethyl)silyl]oxy-dimethylsilane is sourced from PubChem (CID 91736050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).