triethyl-(5-ethynyl-6,10-dimethylundeca-1,9-dien-5-yl)oxysilane

C21H38OSi — CID 57380129

IUPACtriethyl-(5-ethynyl-6,10-dimethylundeca-1,9-dien-5-yl)oxysilane
SMILESC#CC(CCC=C)(O[Si](CC)(CC)CC)C(C)CCC=C(C)C
InChIInChI=1S/C21H38OSi/c1-9-14-18-21(10-2,20(8)17-15-16-19(6)7)22-23(11-3,12-4)13-5/h2,9,16,20H,1,11-15,17-18H2,3-8H3
InChIKeyLXJZQPJDTGEUBI-UHFFFAOYSA-N
MW334.62 g/mol
LogP6.73
Rot. Bonds12

About triethyl-(5-ethynyl-6,10-dimethylundeca-1,9-dien-5-yl)oxysilane

triethyl-(5-ethynyl-6,10-dimethylundeca-1,9-dien-5-yl)oxysilane (PubChem CID 57380129) has the molecular formula C21H38OSi and a molecular weight of 334.62 g/mol. Its IUPAC name is triethyl-(5-ethynyl-6,10-dimethylundeca-1,9-dien-5-yl)oxysilane.

Molecular Properties

Compound Nametriethyl-(5-ethynyl-6,10-dimethylundeca-1,9-dien-5-yl)oxysilane
PubChem CID57380129
Molecular FormulaC21H38OSi
Molecular Weight334.62 g/mol
Exact Mass334.27
IUPAC Nametriethyl-(5-ethynyl-6,10-dimethylundeca-1,9-dien-5-yl)oxysilane
SMILESC#CC(CCC=C)(O[Si](CC)(CC)CC)C(C)CCC=C(C)C
InChIInChI=1S/C21H38OSi/c1-9-14-18-21(10-2,20(8)17-15-16-19(6)7)22-23(11-3,12-4)13-5/h2,9,16,20H,1,11-15,17-18H2,3-8H3
InChIKeyLXJZQPJDTGEUBI-UHFFFAOYSA-N
XLogP6.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.62
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(5-ethynyl-6,10-dimethylundeca-1,9-dien-5-yl)oxysilane?
The IUPAC name of triethyl-(5-ethynyl-6,10-dimethylundeca-1,9-dien-5-yl)oxysilane (CID 57380129) is triethyl-(5-ethynyl-6,10-dimethylundeca-1,9-dien-5-yl)oxysilane.
What is the SMILES notation for triethyl-(5-ethynyl-6,10-dimethylundeca-1,9-dien-5-yl)oxysilane?
The canonical SMILES for triethyl-(5-ethynyl-6,10-dimethylundeca-1,9-dien-5-yl)oxysilane is C#CC(CCC=C)(O[Si](CC)(CC)CC)C(C)CCC=C(C)C.
What is the InChIKey of triethyl-(5-ethynyl-6,10-dimethylundeca-1,9-dien-5-yl)oxysilane?
The InChIKey is LXJZQPJDTGEUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38OSi/c1-9-14-18-21(10-2,20(8)17-15-16-19(6)7)22-23(11-3,12-4)13-5/h2,9,16,20H,1,11-15,17-18H2,3-8H3.
What are the key properties of triethyl-(5-ethynyl-6,10-dimethylundeca-1,9-dien-5-yl)oxysilane?
triethyl-(5-ethynyl-6,10-dimethylundeca-1,9-dien-5-yl)oxysilane has a molecular weight of 334.62 g/mol, XLogP of 6.73, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(5-ethynyl-6,10-dimethylundeca-1,9-dien-5-yl)oxysilane is sourced from PubChem (CID 57380129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).