hexan-2-yloxy-[hexoxy(dimethyl)silyl]oxy-dimethylsilane

C16H38O3Si2 — CID 54770327

IUPAChexan-2-yloxy-[hexoxy(dimethyl)silyl]oxy-dimethylsilane
SMILESCCCCCCO[Si](C)(C)O[Si](C)(C)OC(C)CCCC
InChIInChI=1S/C16H38O3Si2/c1-8-10-12-13-15-17-20(4,5)19-21(6,7)18-16(3)14-11-9-2/h16H,8-15H2,1-7H3
InChIKeyVOVYFOQJVZCPLR-UHFFFAOYSA-N
MW334.65 g/mol
LogP5.60
Rot. Bonds13

About hexan-2-yloxy-[hexoxy(dimethyl)silyl]oxy-dimethylsilane

hexan-2-yloxy-[hexoxy(dimethyl)silyl]oxy-dimethylsilane (PubChem CID 54770327) has the molecular formula C16H38O3Si2 and a molecular weight of 334.65 g/mol. Its IUPAC name is hexan-2-yloxy-[hexoxy(dimethyl)silyl]oxy-dimethylsilane.

Molecular Properties

Compound Namehexan-2-yloxy-[hexoxy(dimethyl)silyl]oxy-dimethylsilane
PubChem CID54770327
Molecular FormulaC16H38O3Si2
Molecular Weight334.65 g/mol
Exact Mass334.24
IUPAC Namehexan-2-yloxy-[hexoxy(dimethyl)silyl]oxy-dimethylsilane
SMILESCCCCCCO[Si](C)(C)O[Si](C)(C)OC(C)CCCC
InChIInChI=1S/C16H38O3Si2/c1-8-10-12-13-15-17-20(4,5)19-21(6,7)18-16(3)14-11-9-2/h16H,8-15H2,1-7H3
InChIKeyVOVYFOQJVZCPLR-UHFFFAOYSA-N
XLogP5.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.65
LogP ≤ 55.60
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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Frequently Asked Questions

What is the IUPAC name of hexan-2-yloxy-[hexoxy(dimethyl)silyl]oxy-dimethylsilane?
The IUPAC name of hexan-2-yloxy-[hexoxy(dimethyl)silyl]oxy-dimethylsilane (CID 54770327) is hexan-2-yloxy-[hexoxy(dimethyl)silyl]oxy-dimethylsilane.
What is the SMILES notation for hexan-2-yloxy-[hexoxy(dimethyl)silyl]oxy-dimethylsilane?
The canonical SMILES for hexan-2-yloxy-[hexoxy(dimethyl)silyl]oxy-dimethylsilane is CCCCCCO[Si](C)(C)O[Si](C)(C)OC(C)CCCC.
What is the InChIKey of hexan-2-yloxy-[hexoxy(dimethyl)silyl]oxy-dimethylsilane?
The InChIKey is VOVYFOQJVZCPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38O3Si2/c1-8-10-12-13-15-17-20(4,5)19-21(6,7)18-16(3)14-11-9-2/h16H,8-15H2,1-7H3.
What are the key properties of hexan-2-yloxy-[hexoxy(dimethyl)silyl]oxy-dimethylsilane?
hexan-2-yloxy-[hexoxy(dimethyl)silyl]oxy-dimethylsilane has a molecular weight of 334.65 g/mol, XLogP of 5.60, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-yloxy-[hexoxy(dimethyl)silyl]oxy-dimethylsilane is sourced from PubChem (CID 54770327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).