2,2,4,4,7,7,9,9,11,11,14,14-dodecamethyl-1,3,8,10-tetraoxa-2,9-disilacyclotetradeca-5,12-diyne

C20H36O4Si2 — CID 5251012

IUPAC2,2,4,4,7,7,9,9,11,11,14,14-dodecamethyl-1,3,8,10-tetraoxa-2,9-disilacyclotetradeca-5,12-diyne
SMILESCC1(C)C#CC(C)(C)O[Si](C)(C)OC(C)(C)C#CC(C)(C)O[Si](C)(C)O1
InChIInChI=1S/C20H36O4Si2/c1-17(2)13-14-18(3,4)23-26(11,12)24-20(7,8)16-15-19(5,6)22-25(9,10)21-17/h1-12H3
InChIKeyQBCUOGHRERVTNA-UHFFFAOYSA-N
MW396.68 g/mol
LogP4.59
Rot. Bonds

About 2,2,4,4,7,7,9,9,11,11,14,14-dodecamethyl-1,3,8,10-tetraoxa-2,9-disilacyclotetradeca-5,12-diyne

2,2,4,4,7,7,9,9,11,11,14,14-dodecamethyl-1,3,8,10-tetraoxa-2,9-disilacyclotetradeca-5,12-diyne (PubChem CID 5251012) has the molecular formula C20H36O4Si2 and a molecular weight of 396.68 g/mol. Its IUPAC name is 2,2,4,4,7,7,9,9,11,11,14,14-dodecamethyl-1,3,8,10-tetraoxa-2,9-disilacyclotetradeca-5,12-diyne.

Molecular Properties

Compound Name2,2,4,4,7,7,9,9,11,11,14,14-dodecamethyl-1,3,8,10-tetraoxa-2,9-disilacyclotetradeca-5,12-diyne
PubChem CID5251012
Molecular FormulaC20H36O4Si2
Molecular Weight396.68 g/mol
Exact Mass396.22
IUPAC Name2,2,4,4,7,7,9,9,11,11,14,14-dodecamethyl-1,3,8,10-tetraoxa-2,9-disilacyclotetradeca-5,12-diyne
SMILESCC1(C)C#CC(C)(C)O[Si](C)(C)OC(C)(C)C#CC(C)(C)O[Si](C)(C)O1
InChIInChI=1S/C20H36O4Si2/c1-17(2)13-14-18(3,4)23-26(11,12)24-20(7,8)16-15-19(5,6)22-25(9,10)21-17/h1-12H3
InChIKeyQBCUOGHRERVTNA-UHFFFAOYSA-N
XLogP4.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.68
LogP ≤ 54.59
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'}

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Related Compounds

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CID 20071839
Dimethyl-(3-methyl-3-trimethylsilyloxypent-1-ynyl)-trimethylsilyloxysilane
CID 87600760
Tri(propan-2-yl)-[2-[1,6,11,16-tetramethoxy-6,11,16-tris[2-tri(propan-2-yl)silylethynyl]cycloicosa-2,4,7,9,12,14,17,19-octayn-1-yl]ethynyl]silane
CID 12036890
Trimethyl-[2-methyl-5-trimethylsilyloxy-5-tri(propan-2-yl)stannylhex-3-yn-2-yl]oxysilane
CID 15271676
Methyl-[2-[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]ethyl]-bis[(2-methylpropan-2-yl)oxy]silane
CID 15084738
Methyl-[[methyl-bis[(2-methylpropan-2-yl)oxy]silyl]methyl]-bis[(2-methylpropan-2-yl)oxy]silane
CID 18769713
Methyl-bis[(2-methylpropan-2-yl)oxy]-[2-[tris[(2-methylpropan-2-yl)oxy]silyl]ethyl]silane
CID 18769716
Dimethyl-[methyl-(2-methylbut-3-yn-2-yloxy)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane
CID 20677691
Tris[(2-methylpropan-2-yl)oxy]-[tris[(2-methylpropan-2-yl)oxy]silylmethyl]silane
CID 21903071
(2,5-Dimethyl-5-trimethylsilylperoxyhex-3-yn-2-yl)peroxy-trimethylsilane
CID 22571192
Methyl-bis[(2-methylpropan-2-yl)oxy]-[tris[(2-methylpropan-2-yl)oxy]silylmethyl]silane
CID 22706815

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,7,7,9,9,11,11,14,14-dodecamethyl-1,3,8,10-tetraoxa-2,9-disilacyclotetradeca-5,12-diyne?
The IUPAC name of 2,2,4,4,7,7,9,9,11,11,14,14-dodecamethyl-1,3,8,10-tetraoxa-2,9-disilacyclotetradeca-5,12-diyne (CID 5251012) is 2,2,4,4,7,7,9,9,11,11,14,14-dodecamethyl-1,3,8,10-tetraoxa-2,9-disilacyclotetradeca-5,12-diyne.
What is the SMILES notation for 2,2,4,4,7,7,9,9,11,11,14,14-dodecamethyl-1,3,8,10-tetraoxa-2,9-disilacyclotetradeca-5,12-diyne?
The canonical SMILES for 2,2,4,4,7,7,9,9,11,11,14,14-dodecamethyl-1,3,8,10-tetraoxa-2,9-disilacyclotetradeca-5,12-diyne is CC1(C)C#CC(C)(C)O[Si](C)(C)OC(C)(C)C#CC(C)(C)O[Si](C)(C)O1.
What is the InChIKey of 2,2,4,4,7,7,9,9,11,11,14,14-dodecamethyl-1,3,8,10-tetraoxa-2,9-disilacyclotetradeca-5,12-diyne?
The InChIKey is QBCUOGHRERVTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O4Si2/c1-17(2)13-14-18(3,4)23-26(11,12)24-20(7,8)16-15-19(5,6)22-25(9,10)21-17/h1-12H3.
What are the key properties of 2,2,4,4,7,7,9,9,11,11,14,14-dodecamethyl-1,3,8,10-tetraoxa-2,9-disilacyclotetradeca-5,12-diyne?
2,2,4,4,7,7,9,9,11,11,14,14-dodecamethyl-1,3,8,10-tetraoxa-2,9-disilacyclotetradeca-5,12-diyne has a molecular weight of 396.68 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,7,7,9,9,11,11,14,14-dodecamethyl-1,3,8,10-tetraoxa-2,9-disilacyclotetradeca-5,12-diyne is sourced from PubChem (CID 5251012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).