triethyl-[2-prop-2-ynyl-2,9,9-tris(triethylsilyloxymethyl)dodeca-4,6,11-triynoxy]silane

C42H78O4Si4 — CID 177460209

IUPACtriethyl-[2-prop-2-ynyl-2,9,9-tris(triethylsilyloxymethyl)dodeca-4,6,11-triynoxy]silane
SMILESC#CCC(CC#CC#CCC(CC#C)(CO[Si](CC)(CC)CC)CO[Si](CC)(CC)CC)(CO[Si](CC)(CC)CC)CO[Si](CC)(CC)CC
InChIInChI=1S/C42H78O4Si4/c1-15-33-41(37-43-47(17-3,18-4)19-5,38-44-48(20-6,21-7)22-8)35-31-29-30-32-36-42(34-16-2,39-45-49(23-9,24-10)25-11)40-46-50(26-12,27-13)28-14/h1-2H,17-28,33-40H2,3-14H3
InChIKeyVVUBMLYSRSCORE-UHFFFAOYSA-N
MW759.43 g/mol
LogP11.88
Rot. Bonds28

About triethyl-[2-prop-2-ynyl-2,9,9-tris(triethylsilyloxymethyl)dodeca-4,6,11-triynoxy]silane

triethyl-[2-prop-2-ynyl-2,9,9-tris(triethylsilyloxymethyl)dodeca-4,6,11-triynoxy]silane (PubChem CID 177460209) has the molecular formula C42H78O4Si4 and a molecular weight of 759.43 g/mol. Its IUPAC name is triethyl-[2-prop-2-ynyl-2,9,9-tris(triethylsilyloxymethyl)dodeca-4,6,11-triynoxy]silane.

Molecular Properties

Compound Nametriethyl-[2-prop-2-ynyl-2,9,9-tris(triethylsilyloxymethyl)dodeca-4,6,11-triynoxy]silane
PubChem CID177460209
Molecular FormulaC42H78O4Si4
Molecular Weight759.43 g/mol
Exact Mass758.50
IUPAC Nametriethyl-[2-prop-2-ynyl-2,9,9-tris(triethylsilyloxymethyl)dodeca-4,6,11-triynoxy]silane
SMILESC#CCC(CC#CC#CCC(CC#C)(CO[Si](CC)(CC)CC)CO[Si](CC)(CC)CC)(CO[Si](CC)(CC)CC)CO[Si](CC)(CC)CC
InChIInChI=1S/C42H78O4Si4/c1-15-33-41(37-43-47(17-3,18-4)19-5,38-44-48(20-6,21-7)22-8)35-31-29-30-32-36-42(34-16-2,39-45-49(23-9,24-10)25-11)40-46-50(26-12,27-13)28-14/h1-2H,17-28,33-40H2,3-14H3
InChIKeyVVUBMLYSRSCORE-UHFFFAOYSA-N
XLogP11.88
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.43
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze triethyl-[2-prop-2-ynyl-2,9,9-tris(triethylsilyloxymethyl)dodeca-4,6,11-triynoxy]silane with MolForge

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Related Compounds

Tert-butyl-(4,4-dimethyl-1-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane
CID 10567903
Tert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane
CID 10829718
Tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane
CID 11079446
Tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]methoxymethyl]-2-but-2-ynylhex-4-ynoxy]methyl]-dimethylsilane
CID 135071571
Trimethyl-[2-prop-2-ynyl-2-(trimethylsilyloxymethyl)pent-4-ynoxy]silane
CID 15422253
Tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-2-ynylhex-4-ynoxy]-dimethylsilane
CID 101218243
[4,4-Bis(methoxymethyl)-7-trimethylsilylhepta-1,6-diynyl]-trimethylsilane
CID 10860337
5,5-Bis(methoxymethyl)octa-2,7-diynoxy-but-2-ynoxy-di(propan-2-yl)silane
CID 12101340
Tri(propan-2-yl)-[2-prop-2-ynyl-2-[tri(propan-2-yl)silyloxymethyl]pent-4-ynoxy]silane
CID 101166085

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-prop-2-ynyl-2,9,9-tris(triethylsilyloxymethyl)dodeca-4,6,11-triynoxy]silane?
The IUPAC name of triethyl-[2-prop-2-ynyl-2,9,9-tris(triethylsilyloxymethyl)dodeca-4,6,11-triynoxy]silane (CID 177460209) is triethyl-[2-prop-2-ynyl-2,9,9-tris(triethylsilyloxymethyl)dodeca-4,6,11-triynoxy]silane.
What is the SMILES notation for triethyl-[2-prop-2-ynyl-2,9,9-tris(triethylsilyloxymethyl)dodeca-4,6,11-triynoxy]silane?
The canonical SMILES for triethyl-[2-prop-2-ynyl-2,9,9-tris(triethylsilyloxymethyl)dodeca-4,6,11-triynoxy]silane is C#CCC(CC#CC#CCC(CC#C)(CO[Si](CC)(CC)CC)CO[Si](CC)(CC)CC)(CO[Si](CC)(CC)CC)CO[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[2-prop-2-ynyl-2,9,9-tris(triethylsilyloxymethyl)dodeca-4,6,11-triynoxy]silane?
The InChIKey is VVUBMLYSRSCORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H78O4Si4/c1-15-33-41(37-43-47(17-3,18-4)19-5,38-44-48(20-6,21-7)22-8)35-31-29-30-32-36-42(34-16-2,39-45-49(23-9,24-10)25-11)40-46-50(26-12,27-13)28-14/h1-2H,17-28,33-40H2,3-14H3.
What are the key properties of triethyl-[2-prop-2-ynyl-2,9,9-tris(triethylsilyloxymethyl)dodeca-4,6,11-triynoxy]silane?
triethyl-[2-prop-2-ynyl-2,9,9-tris(triethylsilyloxymethyl)dodeca-4,6,11-triynoxy]silane has a molecular weight of 759.43 g/mol, XLogP of 11.88, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-prop-2-ynyl-2,9,9-tris(triethylsilyloxymethyl)dodeca-4,6,11-triynoxy]silane is sourced from PubChem (CID 177460209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).