[dimethyl(non-5-yn-3-yloxy)silyl]oxy-dimethyl-non-5-yn-3-yloxysilane

C22H42O3Si2 — CID 91740157

IUPAC[dimethyl(non-5-yn-3-yloxy)silyl]oxy-dimethyl-non-5-yn-3-yloxysilane
SMILESCCCC#CCC(CC)O[Si](C)(C)O[Si](C)(C)OC(CC)CC#CCCC
InChIInChI=1S/C22H42O3Si2/c1-9-13-15-17-19-21(11-3)23-26(5,6)25-27(7,8)24-22(12-4)20-18-16-14-10-2/h21-22H,9-14,19-20H2,1-8H3
InChIKeyDHAOVWDVGPHRRY-UHFFFAOYSA-N
MW410.75 g/mol
LogP6.38
Rot. Bonds12

About [dimethyl(non-5-yn-3-yloxy)silyl]oxy-dimethyl-non-5-yn-3-yloxysilane

[dimethyl(non-5-yn-3-yloxy)silyl]oxy-dimethyl-non-5-yn-3-yloxysilane (PubChem CID 91740157) has the molecular formula C22H42O3Si2 and a molecular weight of 410.75 g/mol. Its IUPAC name is [dimethyl(non-5-yn-3-yloxy)silyl]oxy-dimethyl-non-5-yn-3-yloxysilane.

Molecular Properties

Compound Name[dimethyl(non-5-yn-3-yloxy)silyl]oxy-dimethyl-non-5-yn-3-yloxysilane
PubChem CID91740157
Molecular FormulaC22H42O3Si2
Molecular Weight410.75 g/mol
Exact Mass410.27
IUPAC Name[dimethyl(non-5-yn-3-yloxy)silyl]oxy-dimethyl-non-5-yn-3-yloxysilane
SMILESCCCC#CCC(CC)O[Si](C)(C)O[Si](C)(C)OC(CC)CC#CCCC
InChIInChI=1S/C22H42O3Si2/c1-9-13-15-17-19-21(11-3)23-26(5,6)25-27(7,8)24-22(12-4)20-18-16-14-10-2/h21-22H,9-14,19-20H2,1-8H3
InChIKeyDHAOVWDVGPHRRY-UHFFFAOYSA-N
XLogP6.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.75
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-Trihexylsilyloxybut-3-yne
CID 531313
3-Trihehylsilyloxyhex-4-yne
CID 531316
3-Tributylsilyloxyhex-4-yne
CID 531335
Silane, dimethyl(non-5-yn-3-yloxy)ethoxy-
CID 91723674
Silane, dimethyl(hex-4-yn-3-yloxy)ethoxy-
CID 91725825
Silane, dimethyl(non-5-yn-3-yloxy)propoxy-
CID 91726699
Silane, dimethyl(dimethyl(non-5-yn-3-yloxy)silyloxy)ethoxy-
CID 91726985
Silane, dimethyl(hex-4-yn-3-yloxy)propoxy-
CID 91728794
Silane, dimethyl(non-5-yn-3-yloxy)butoxy-
CID 91730323
Silane, dimethyldi(non-5-yn-3-yloxy)-
CID 91732428
Silane, dimethyl(dimethyl(non-5-yn-3-yloxy)silyloxy)isobutoxy-
CID 91733610
Silane, dimethyl(non-5-yn-3-yloxy)hexyloxy-
CID 91735226

Frequently Asked Questions

What is the IUPAC name of [dimethyl(non-5-yn-3-yloxy)silyl]oxy-dimethyl-non-5-yn-3-yloxysilane?
The IUPAC name of [dimethyl(non-5-yn-3-yloxy)silyl]oxy-dimethyl-non-5-yn-3-yloxysilane (CID 91740157) is [dimethyl(non-5-yn-3-yloxy)silyl]oxy-dimethyl-non-5-yn-3-yloxysilane.
What is the SMILES notation for [dimethyl(non-5-yn-3-yloxy)silyl]oxy-dimethyl-non-5-yn-3-yloxysilane?
The canonical SMILES for [dimethyl(non-5-yn-3-yloxy)silyl]oxy-dimethyl-non-5-yn-3-yloxysilane is CCCC#CCC(CC)O[Si](C)(C)O[Si](C)(C)OC(CC)CC#CCCC.
What is the InChIKey of [dimethyl(non-5-yn-3-yloxy)silyl]oxy-dimethyl-non-5-yn-3-yloxysilane?
The InChIKey is DHAOVWDVGPHRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O3Si2/c1-9-13-15-17-19-21(11-3)23-26(5,6)25-27(7,8)24-22(12-4)20-18-16-14-10-2/h21-22H,9-14,19-20H2,1-8H3.
What are the key properties of [dimethyl(non-5-yn-3-yloxy)silyl]oxy-dimethyl-non-5-yn-3-yloxysilane?
[dimethyl(non-5-yn-3-yloxy)silyl]oxy-dimethyl-non-5-yn-3-yloxysilane has a molecular weight of 410.75 g/mol, XLogP of 6.38, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(non-5-yn-3-yloxy)silyl]oxy-dimethyl-non-5-yn-3-yloxysilane is sourced from PubChem (CID 91740157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).