triethyl-[6-(2-trimethylsilylethynyl)undeca-1,10-dien-6-yloxy]silane

C22H42OSi2 — CID 10619683

IUPACtriethyl-[6-(2-trimethylsilylethynyl)undeca-1,10-dien-6-yloxy]silane
SMILESC=CCCCC(C#C[Si](C)(C)C)(CCCC=C)O[Si](CC)(CC)CC
InChIInChI=1S/C22H42OSi2/c1-9-14-16-18-22(19-17-15-10-2,20-21-24(6,7)8)23-25(11-3,12-4)13-5/h9-10H,1-2,11-19H2,3-8H3
InChIKeyRCVWBXHONRVFSJ-UHFFFAOYSA-N
MW378.75 g/mol
LogP7.34
Rot. Bonds13

About triethyl-[6-(2-trimethylsilylethynyl)undeca-1,10-dien-6-yloxy]silane

triethyl-[6-(2-trimethylsilylethynyl)undeca-1,10-dien-6-yloxy]silane (PubChem CID 10619683) has the molecular formula C22H42OSi2 and a molecular weight of 378.75 g/mol. Its IUPAC name is triethyl-[6-(2-trimethylsilylethynyl)undeca-1,10-dien-6-yloxy]silane.

Molecular Properties

Compound Nametriethyl-[6-(2-trimethylsilylethynyl)undeca-1,10-dien-6-yloxy]silane
PubChem CID10619683
Molecular FormulaC22H42OSi2
Molecular Weight378.75 g/mol
Exact Mass378.28
IUPAC Nametriethyl-[6-(2-trimethylsilylethynyl)undeca-1,10-dien-6-yloxy]silane
SMILESC=CCCCC(C#C[Si](C)(C)C)(CCCC=C)O[Si](CC)(CC)CC
InChIInChI=1S/C22H42OSi2/c1-9-14-16-18-22(19-17-15-10-2,20-21-24(6,7)8)23-25(11-3,12-4)13-5/h9-10H,1-2,11-19H2,3-8H3
InChIKeyRCVWBXHONRVFSJ-UHFFFAOYSA-N
XLogP7.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.75
LogP ≤ 57.34
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': '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-[6-(2-trimethylsilylethynyl)undeca-1,10-dien-6-yloxy]silane?
The IUPAC name of triethyl-[6-(2-trimethylsilylethynyl)undeca-1,10-dien-6-yloxy]silane (CID 10619683) is triethyl-[6-(2-trimethylsilylethynyl)undeca-1,10-dien-6-yloxy]silane.
What is the SMILES notation for triethyl-[6-(2-trimethylsilylethynyl)undeca-1,10-dien-6-yloxy]silane?
The canonical SMILES for triethyl-[6-(2-trimethylsilylethynyl)undeca-1,10-dien-6-yloxy]silane is C=CCCCC(C#C[Si](C)(C)C)(CCCC=C)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[6-(2-trimethylsilylethynyl)undeca-1,10-dien-6-yloxy]silane?
The InChIKey is RCVWBXHONRVFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42OSi2/c1-9-14-16-18-22(19-17-15-10-2,20-21-24(6,7)8)23-25(11-3,12-4)13-5/h9-10H,1-2,11-19H2,3-8H3.
What are the key properties of triethyl-[6-(2-trimethylsilylethynyl)undeca-1,10-dien-6-yloxy]silane?
triethyl-[6-(2-trimethylsilylethynyl)undeca-1,10-dien-6-yloxy]silane has a molecular weight of 378.75 g/mol, XLogP of 7.34, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[6-(2-trimethylsilylethynyl)undeca-1,10-dien-6-yloxy]silane is sourced from PubChem (CID 10619683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).