[dimethyl(3-methylpentoxy)silyl]oxy-heptoxy-dimethylsilane

C17H40O3Si2 — CID 91721186

IUPAC[dimethyl(3-methylpentoxy)silyl]oxy-heptoxy-dimethylsilane
SMILESCCCCCCCO[Si](C)(C)O[Si](C)(C)OCCC(C)CC
InChIInChI=1S/C17H40O3Si2/c1-8-10-11-12-13-15-18-21(4,5)20-22(6,7)19-16-14-17(3)9-2/h17H,8-16H2,1-7H3
InChIKeyVSTHDGPWDLHSKW-UHFFFAOYSA-N
MW348.68 g/mol
LogP5.85
Rot. Bonds14

About [dimethyl(3-methylpentoxy)silyl]oxy-heptoxy-dimethylsilane

[dimethyl(3-methylpentoxy)silyl]oxy-heptoxy-dimethylsilane (PubChem CID 91721186) has the molecular formula C17H40O3Si2 and a molecular weight of 348.68 g/mol. Its IUPAC name is [dimethyl(3-methylpentoxy)silyl]oxy-heptoxy-dimethylsilane.

Molecular Properties

Compound Name[dimethyl(3-methylpentoxy)silyl]oxy-heptoxy-dimethylsilane
PubChem CID91721186
Molecular FormulaC17H40O3Si2
Molecular Weight348.68 g/mol
Exact Mass348.25
IUPAC Name[dimethyl(3-methylpentoxy)silyl]oxy-heptoxy-dimethylsilane
SMILESCCCCCCCO[Si](C)(C)O[Si](C)(C)OCCC(C)CC
InChIInChI=1S/C17H40O3Si2/c1-8-10-11-12-13-15-18-21(4,5)20-22(6,7)19-16-14-17(3)9-2/h17H,8-16H2,1-7H3
InChIKeyVSTHDGPWDLHSKW-UHFFFAOYSA-N
XLogP5.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.68
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
Cyclohexylmethoxy-dimethylsilyloxy-dimethylsilane
CID 101900131
tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
CID 11312646
(s)-t-Butyl(dimethyl)[(13-methylheptadecyl)oxy]silane
CID 146679947
3,11-Dioxa-2,12-disilatridecane, 2,2,12,12-tetramethyl-
CID 143176
1,7-heptanediol, tBDMS
CID 6427123

Frequently Asked Questions

What is the IUPAC name of [dimethyl(3-methylpentoxy)silyl]oxy-heptoxy-dimethylsilane?
The IUPAC name of [dimethyl(3-methylpentoxy)silyl]oxy-heptoxy-dimethylsilane (CID 91721186) is [dimethyl(3-methylpentoxy)silyl]oxy-heptoxy-dimethylsilane.
What is the SMILES notation for [dimethyl(3-methylpentoxy)silyl]oxy-heptoxy-dimethylsilane?
The canonical SMILES for [dimethyl(3-methylpentoxy)silyl]oxy-heptoxy-dimethylsilane is CCCCCCCO[Si](C)(C)O[Si](C)(C)OCCC(C)CC.
What is the InChIKey of [dimethyl(3-methylpentoxy)silyl]oxy-heptoxy-dimethylsilane?
The InChIKey is VSTHDGPWDLHSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40O3Si2/c1-8-10-11-12-13-15-18-21(4,5)20-22(6,7)19-16-14-17(3)9-2/h17H,8-16H2,1-7H3.
What are the key properties of [dimethyl(3-methylpentoxy)silyl]oxy-heptoxy-dimethylsilane?
[dimethyl(3-methylpentoxy)silyl]oxy-heptoxy-dimethylsilane has a molecular weight of 348.68 g/mol, XLogP of 5.85, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(3-methylpentoxy)silyl]oxy-heptoxy-dimethylsilane is sourced from PubChem (CID 91721186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).