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

C16H38O3Si2 — CID 91720775

IUPAChexan-2-yloxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane
SMILESCCCCC(C)O[Si](C)(C)O[Si](C)(C)OC(C)CCCC
InChIInChI=1S/C16H38O3Si2/c1-9-11-13-15(3)17-20(5,6)19-21(7,8)18-16(4)14-12-10-2/h15-16H,9-14H2,1-8H3
InChIKeyAKYJQFBQKBJLSM-UHFFFAOYSA-N
MW334.65 g/mol
LogP5.60
Rot. Bonds12

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

hexan-2-yloxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane (PubChem CID 91720775) has the molecular formula C16H38O3Si2 and a molecular weight of 334.65 g/mol. Its IUPAC name is hexan-2-yloxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane.

Molecular Properties

Compound Namehexan-2-yloxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane
PubChem CID91720775
Molecular FormulaC16H38O3Si2
Molecular Weight334.65 g/mol
Exact Mass334.24
IUPAC Namehexan-2-yloxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane
SMILESCCCCC(C)O[Si](C)(C)O[Si](C)(C)OC(C)CCCC
InChIInChI=1S/C16H38O3Si2/c1-9-11-13-15(3)17-20(5,6)19-21(7,8)18-16(4)14-12-10-2/h15-16H,9-14H2,1-8H3
InChIKeyAKYJQFBQKBJLSM-UHFFFAOYSA-N
XLogP5.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Silane, dimethyldi(2-octyloxy)-
CID 85708223
Silane, dimethyldi(2-heptyloxy)-
CID 85694061
Trimethyl[(1-methylpentyl)oxy]silane
CID 575934
Silane, dimethyl(dimethylpentyloxysilyloxy)pentyloxy-
CID 10924804
5,5,11,11-Tetrabutyl-7,9-dimethyl-6,10-dioxa-5,11-disilapentadecane
CID 71380604
2,3-Pentanediol, di-TMS
CID 528637
1,2-Heptadecanediol, di-TMS
CID 528978
Silane, dimethyl(dimethyl(2-hexyloxy)silyloxy)hexyloxy-
CID 54770327
Silane, dimethyl(3-heptyloxy)propoxy-
CID 91709967
Silane, diethyl(4-octyloxy)propoxy-
CID 91714757
Silane, dimethyl(2-hexyloxy)ethoxy-
CID 91719385
Silane, diethylbutoxy(3-heptyloxy)-
CID 91719426

Frequently Asked Questions

What is the IUPAC name of hexan-2-yloxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane?
The IUPAC name of hexan-2-yloxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane (CID 91720775) is hexan-2-yloxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane.
What is the SMILES notation for hexan-2-yloxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane?
The canonical SMILES for hexan-2-yloxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane is CCCCC(C)O[Si](C)(C)O[Si](C)(C)OC(C)CCCC.
What is the InChIKey of hexan-2-yloxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane?
The InChIKey is AKYJQFBQKBJLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38O3Si2/c1-9-11-13-15(3)17-20(5,6)19-21(7,8)18-16(4)14-12-10-2/h15-16H,9-14H2,1-8H3.
What are the key properties of hexan-2-yloxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane?
hexan-2-yloxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane has a molecular weight of 334.65 g/mol, XLogP of 5.60, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-yloxy-[hexan-2-yloxy(dimethyl)silyl]oxy-dimethylsilane is sourced from PubChem (CID 91720775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).