triethyl-(2-methyl-3-methylidene-5-triethylsilyloxyoct-7-ynoxy)silane

C22H44O2Si2 — CID 72807241

IUPACtriethyl-(2-methyl-3-methylidene-5-triethylsilyloxyoct-7-ynoxy)silane
SMILESC#CCC(CC(=C)C(C)CO[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C22H44O2Si2/c1-10-17-22(24-26(14-5,15-6)16-7)18-20(8)21(9)19-23-25(11-2,12-3)13-4/h1,21-22H,8,11-19H2,2-7,9H3
InChIKeyBDVAHIOEZICWJQ-UHFFFAOYSA-N
MW396.76 g/mol
LogP7.00
Rot. Bonds15

About triethyl-(2-methyl-3-methylidene-5-triethylsilyloxyoct-7-ynoxy)silane

triethyl-(2-methyl-3-methylidene-5-triethylsilyloxyoct-7-ynoxy)silane (PubChem CID 72807241) has the molecular formula C22H44O2Si2 and a molecular weight of 396.76 g/mol. Its IUPAC name is triethyl-(2-methyl-3-methylidene-5-triethylsilyloxyoct-7-ynoxy)silane.

Molecular Properties

Compound Nametriethyl-(2-methyl-3-methylidene-5-triethylsilyloxyoct-7-ynoxy)silane
PubChem CID72807241
Molecular FormulaC22H44O2Si2
Molecular Weight396.76 g/mol
Exact Mass396.29
IUPAC Nametriethyl-(2-methyl-3-methylidene-5-triethylsilyloxyoct-7-ynoxy)silane
SMILESC#CCC(CC(=C)C(C)CO[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C22H44O2Si2/c1-10-17-22(24-26(14-5,15-6)16-7)18-20(8)21(9)19-23-25(11-2,12-3)13-4/h1,21-22H,8,11-19H2,2-7,9H3
InChIKeyBDVAHIOEZICWJQ-UHFFFAOYSA-N
XLogP7.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.76
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-(2-methyl-3-methylidene-5-triethylsilyloxyoct-7-ynoxy)silane?
The IUPAC name of triethyl-(2-methyl-3-methylidene-5-triethylsilyloxyoct-7-ynoxy)silane (CID 72807241) is triethyl-(2-methyl-3-methylidene-5-triethylsilyloxyoct-7-ynoxy)silane.
What is the SMILES notation for triethyl-(2-methyl-3-methylidene-5-triethylsilyloxyoct-7-ynoxy)silane?
The canonical SMILES for triethyl-(2-methyl-3-methylidene-5-triethylsilyloxyoct-7-ynoxy)silane is C#CCC(CC(=C)C(C)CO[Si](CC)(CC)CC)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-(2-methyl-3-methylidene-5-triethylsilyloxyoct-7-ynoxy)silane?
The InChIKey is BDVAHIOEZICWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2Si2/c1-10-17-22(24-26(14-5,15-6)16-7)18-20(8)21(9)19-23-25(11-2,12-3)13-4/h1,21-22H,8,11-19H2,2-7,9H3.
What are the key properties of triethyl-(2-methyl-3-methylidene-5-triethylsilyloxyoct-7-ynoxy)silane?
triethyl-(2-methyl-3-methylidene-5-triethylsilyloxyoct-7-ynoxy)silane has a molecular weight of 396.76 g/mol, XLogP of 7.00, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(2-methyl-3-methylidene-5-triethylsilyloxyoct-7-ynoxy)silane is sourced from PubChem (CID 72807241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).