triethyl-[(9E)-6-prop-1-ynyldodeca-1,9-dien-6-yl]oxysilane

C21H38OSi — CID 14936191

IUPACtriethyl-[(9E)-6-prop-1-ynyldodeca-1,9-dien-6-yl]oxysilane
SMILESC=CCCCC(C#CC)(CC/C=C/CC)O[Si](CC)(CC)CC
InChIInChI=1S/C21H38OSi/c1-7-13-15-17-20-21(18-9-3,19-16-14-8-2)22-23(10-4,11-5)12-6/h8,13,15H,2,7,10-12,14,16-17,19-20H2,1,3-6H3/b15-13+
InChIKeyQCZPNNZSSILHJE-FYWRMAATSA-N
MW334.62 g/mol
LogP6.87
Rot. Bonds13

About triethyl-[(9E)-6-prop-1-ynyldodeca-1,9-dien-6-yl]oxysilane

triethyl-[(9E)-6-prop-1-ynyldodeca-1,9-dien-6-yl]oxysilane (PubChem CID 14936191) has the molecular formula C21H38OSi and a molecular weight of 334.62 g/mol. Its IUPAC name is triethyl-[(9E)-6-prop-1-ynyldodeca-1,9-dien-6-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(9E)-6-prop-1-ynyldodeca-1,9-dien-6-yl]oxysilane
PubChem CID14936191
Molecular FormulaC21H38OSi
Molecular Weight334.62 g/mol
Exact Mass334.27
IUPAC Nametriethyl-[(9E)-6-prop-1-ynyldodeca-1,9-dien-6-yl]oxysilane
SMILESC=CCCCC(C#CC)(CC/C=C/CC)O[Si](CC)(CC)CC
InChIInChI=1S/C21H38OSi/c1-7-13-15-17-20-21(18-9-3,19-16-14-8-2)22-23(10-4,11-5)12-6/h8,13,15H,2,7,10-12,14,16-17,19-20H2,1,3-6H3/b15-13+
InChIKeyQCZPNNZSSILHJE-FYWRMAATSA-N
XLogP6.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.62
LogP ≤ 56.87
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-[(9E)-6-prop-1-ynyldodeca-1,9-dien-6-yl]oxysilane?
The IUPAC name of triethyl-[(9E)-6-prop-1-ynyldodeca-1,9-dien-6-yl]oxysilane (CID 14936191) is triethyl-[(9E)-6-prop-1-ynyldodeca-1,9-dien-6-yl]oxysilane.
What is the SMILES notation for triethyl-[(9E)-6-prop-1-ynyldodeca-1,9-dien-6-yl]oxysilane?
The canonical SMILES for triethyl-[(9E)-6-prop-1-ynyldodeca-1,9-dien-6-yl]oxysilane is C=CCCCC(C#CC)(CC/C=C/CC)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(9E)-6-prop-1-ynyldodeca-1,9-dien-6-yl]oxysilane?
The InChIKey is QCZPNNZSSILHJE-FYWRMAATSA-N. The full InChI is InChI=1S/C21H38OSi/c1-7-13-15-17-20-21(18-9-3,19-16-14-8-2)22-23(10-4,11-5)12-6/h8,13,15H,2,7,10-12,14,16-17,19-20H2,1,3-6H3/b15-13+.
What are the key properties of triethyl-[(9E)-6-prop-1-ynyldodeca-1,9-dien-6-yl]oxysilane?
triethyl-[(9E)-6-prop-1-ynyldodeca-1,9-dien-6-yl]oxysilane has a molecular weight of 334.62 g/mol, XLogP of 6.87, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(9E)-6-prop-1-ynyldodeca-1,9-dien-6-yl]oxysilane is sourced from PubChem (CID 14936191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).