dec-3-yn-2-yloxy-diphenyl-trimethylsilylsilane

C25H36OSi2 — CID 134884951

IUPACdec-3-yn-2-yloxy-diphenyl-trimethylsilylsilane
SMILESCCCCCCC#CC(C)O[Si](c1ccccc1)(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C25H36OSi2/c1-6-7-8-9-10-13-18-23(2)26-28(27(3,4)5,24-19-14-11-15-20-24)25-21-16-12-17-22-25/h11-12,14-17,19-23H,6-10H2,1-5H3
InChIKeyKZVDDKSZPCIGBW-UHFFFAOYSA-N
MW408.73 g/mol
LogP5.54
Rot. Bonds9

About dec-3-yn-2-yloxy-diphenyl-trimethylsilylsilane

dec-3-yn-2-yloxy-diphenyl-trimethylsilylsilane (PubChem CID 134884951) has the molecular formula C25H36OSi2 and a molecular weight of 408.73 g/mol. Its IUPAC name is dec-3-yn-2-yloxy-diphenyl-trimethylsilylsilane.

Molecular Properties

Compound Namedec-3-yn-2-yloxy-diphenyl-trimethylsilylsilane
PubChem CID134884951
Molecular FormulaC25H36OSi2
Molecular Weight408.73 g/mol
Exact Mass408.23
IUPAC Namedec-3-yn-2-yloxy-diphenyl-trimethylsilylsilane
SMILESCCCCCCC#CC(C)O[Si](c1ccccc1)(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C25H36OSi2/c1-6-7-8-9-10-13-18-23(2)26-28(27(3,4)5,24-19-14-11-15-20-24)25-21-16-12-17-22-25/h11-12,14-17,19-23H,6-10H2,1-5H3
InChIKeyKZVDDKSZPCIGBW-UHFFFAOYSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.73
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexylnon-2-ynoxy-[dimethyl(phenyl)silyl]-diphenylsilane
CID 11135314
dimethyl-oct-1-ynyl-phenylsilane
CID 13357120
2-methyldec-3-ynylbenzene
CID 102174838
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
[4-[[(2R)-tetradec-3-yn-2-yl]oxymethyl]phenyl]methanol
CID 54444737
tridec-1-ynylbenzene
CID 19991064
1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol
CID 86716473
1-methoxyoct-2-ynylsulfanylbenzene
CID 10800593
3-pentylundeca-1,4-diynylbenzene
CID 164898944
ethane;non-1-ynylbenzene
CID 143616673
dec-3-ynylbenzene
CID 13130420
heptoxy-hexan-2-yloxy-diphenylsilane
CID 91741501

Frequently Asked Questions

What is the IUPAC name of dec-3-yn-2-yloxy-diphenyl-trimethylsilylsilane?
The IUPAC name of dec-3-yn-2-yloxy-diphenyl-trimethylsilylsilane (CID 134884951) is dec-3-yn-2-yloxy-diphenyl-trimethylsilylsilane.
What is the SMILES notation for dec-3-yn-2-yloxy-diphenyl-trimethylsilylsilane?
The canonical SMILES for dec-3-yn-2-yloxy-diphenyl-trimethylsilylsilane is CCCCCCC#CC(C)O[Si](c1ccccc1)(c1ccccc1)[Si](C)(C)C.
What is the InChIKey of dec-3-yn-2-yloxy-diphenyl-trimethylsilylsilane?
The InChIKey is KZVDDKSZPCIGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36OSi2/c1-6-7-8-9-10-13-18-23(2)26-28(27(3,4)5,24-19-14-11-15-20-24)25-21-16-12-17-22-25/h11-12,14-17,19-23H,6-10H2,1-5H3.
What are the key properties of dec-3-yn-2-yloxy-diphenyl-trimethylsilylsilane?
dec-3-yn-2-yloxy-diphenyl-trimethylsilylsilane has a molecular weight of 408.73 g/mol, XLogP of 5.54, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dec-3-yn-2-yloxy-diphenyl-trimethylsilylsilane is sourced from PubChem (CID 134884951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).