trimethyl-[2-methyl-5-trimethylsilyloxy-5-tri(propan-2-yl)stannylhex-3-yn-2-yl]oxysilane

C22H48O2Si2Sn — CID 15271676

IUPACtrimethyl-[2-methyl-5-trimethylsilyloxy-5-tri(propan-2-yl)stannylhex-3-yn-2-yl]oxysilane
SMILESCC(C)[Sn](C(C)C)(C(C)C)C(C)(C#CC(C)(C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H27O2Si2.3C3H7.Sn/c1-12(14-16(4,5)6)10-11-13(2,3)15-17(7,8)9;3*1-3-2;/h1-9H3;3*3H,1-2H3;
InChIKeySAOSYIZJAOAZGE-UHFFFAOYSA-N
MW519.51 g/mol
LogP7.45
Rot. Bonds8

About trimethyl-[2-methyl-5-trimethylsilyloxy-5-tri(propan-2-yl)stannylhex-3-yn-2-yl]oxysilane

trimethyl-[2-methyl-5-trimethylsilyloxy-5-tri(propan-2-yl)stannylhex-3-yn-2-yl]oxysilane (PubChem CID 15271676) has the molecular formula C22H48O2Si2Sn and a molecular weight of 519.51 g/mol. Its IUPAC name is trimethyl-[2-methyl-5-trimethylsilyloxy-5-tri(propan-2-yl)stannylhex-3-yn-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[2-methyl-5-trimethylsilyloxy-5-tri(propan-2-yl)stannylhex-3-yn-2-yl]oxysilane
PubChem CID15271676
Molecular FormulaC22H48O2Si2Sn
Molecular Weight519.51 g/mol
Exact Mass520.22
IUPAC Nametrimethyl-[2-methyl-5-trimethylsilyloxy-5-tri(propan-2-yl)stannylhex-3-yn-2-yl]oxysilane
SMILESCC(C)[Sn](C(C)C)(C(C)C)C(C)(C#CC(C)(C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H27O2Si2.3C3H7.Sn/c1-12(14-16(4,5)6)10-11-13(2,3)15-17(7,8)9;3*1-3-2;/h1-9H3;3*3H,1-2H3;
InChIKeySAOSYIZJAOAZGE-UHFFFAOYSA-N
XLogP7.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.51
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Bis(1,1-dimethyl-2-propynyloxy)dimethylsilane
CID 155887695
(2,5-Dimethyl-5-trimethylsilyloxyhex-3-yn-2-yl)oxy-trimethylsilane
CID 20071839
Dimethyl-(3-methyl-3-trimethylsilyloxypent-1-ynyl)-trimethylsilyloxysilane
CID 87600760
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
Trimethyl-(2-methyl-4-trimethylstannylbut-3-yn-2-yl)oxysilane
CID 10914162
Trimethyl-[3-trimethylsilyloxy-3-tri(propan-2-yl)stannylbut-1-ynyl]silane
CID 10939496
Dimethyl-[methyl-(2-methylbut-3-yn-2-yloxy)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane
CID 20677691
Trimethyl-[2-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane
CID 54445108
Trimethyl-[1-[tris(2-methylbut-3-yn-2-yloxy)silyl]ethyl]silane
CID 57075904
Dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane;dimethyl-[methyl-(2-methylbut-3-yn-2-yloxy)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane
CID 91278748
Methyl-tris(2-methylpent-3-yn-2-yloxy)silane
CID 140845837
Dimethyl-bis(2-methylbut-3-yn-2-yloxy)silane;dimethyl-[methyl-(2-methylbut-3-yn-2-yloxy)-trimethylsilyloxysilyl]oxy-trimethylsilyloxysilane;methane
CID 158193201

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-methyl-5-trimethylsilyloxy-5-tri(propan-2-yl)stannylhex-3-yn-2-yl]oxysilane?
The IUPAC name of trimethyl-[2-methyl-5-trimethylsilyloxy-5-tri(propan-2-yl)stannylhex-3-yn-2-yl]oxysilane (CID 15271676) is trimethyl-[2-methyl-5-trimethylsilyloxy-5-tri(propan-2-yl)stannylhex-3-yn-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[2-methyl-5-trimethylsilyloxy-5-tri(propan-2-yl)stannylhex-3-yn-2-yl]oxysilane?
The canonical SMILES for trimethyl-[2-methyl-5-trimethylsilyloxy-5-tri(propan-2-yl)stannylhex-3-yn-2-yl]oxysilane is CC(C)[Sn](C(C)C)(C(C)C)C(C)(C#CC(C)(C)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-methyl-5-trimethylsilyloxy-5-tri(propan-2-yl)stannylhex-3-yn-2-yl]oxysilane?
The InChIKey is SAOSYIZJAOAZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27O2Si2.3C3H7.Sn/c1-12(14-16(4,5)6)10-11-13(2,3)15-17(7,8)9;3*1-3-2;/h1-9H3;3*3H,1-2H3;.
What are the key properties of trimethyl-[2-methyl-5-trimethylsilyloxy-5-tri(propan-2-yl)stannylhex-3-yn-2-yl]oxysilane?
trimethyl-[2-methyl-5-trimethylsilyloxy-5-tri(propan-2-yl)stannylhex-3-yn-2-yl]oxysilane has a molecular weight of 519.51 g/mol, XLogP of 7.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-methyl-5-trimethylsilyloxy-5-tri(propan-2-yl)stannylhex-3-yn-2-yl]oxysilane is sourced from PubChem (CID 15271676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).