[(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-trimethylsilane

C20H32OSi — CID 91696433

IUPAC[(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-trimethylsilane
SMILESC=CC(C#CC#CC/C=C\CCCCCCC)O[Si](C)(C)C
InChIInChI=1S/C20H32OSi/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20(7-2)21-22(3,4)5/h7,13-14,20H,2,6,8-12,15H2,1,3-5H3/b14-13-
InChIKeyWDWDEHVCHBVQLN-YPKPFQOOSA-N
MW316.56 g/mol
LogP5.71
Rot. Bonds10

About [(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-trimethylsilane

[(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-trimethylsilane (PubChem CID 91696433) has the molecular formula C20H32OSi and a molecular weight of 316.56 g/mol. Its IUPAC name is [(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-trimethylsilane
PubChem CID91696433
Molecular FormulaC20H32OSi
Molecular Weight316.56 g/mol
Exact Mass316.22
IUPAC Name[(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-trimethylsilane
SMILESC=CC(C#CC#CC/C=C\CCCCCCC)O[Si](C)(C)C
InChIInChI=1S/C20H32OSi/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20(7-2)21-22(3,4)5/h7,13-14,20H,2,6,8-12,15H2,1,3-5H3/b14-13-
InChIKeyWDWDEHVCHBVQLN-YPKPFQOOSA-N
XLogP5.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.56
LogP ≤ 55.71
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'}

Analyze [(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-trimethylsilane?
The IUPAC name of [(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-trimethylsilane (CID 91696433) is [(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-trimethylsilane is C=CC(C#CC#CC/C=C\CCCCCCC)O[Si](C)(C)C.
What is the InChIKey of [(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-trimethylsilane?
The InChIKey is WDWDEHVCHBVQLN-YPKPFQOOSA-N. The full InChI is InChI=1S/C20H32OSi/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20(7-2)21-22(3,4)5/h7,13-14,20H,2,6,8-12,15H2,1,3-5H3/b14-13-.
What are the key properties of [(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-trimethylsilane?
[(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-trimethylsilane has a molecular weight of 316.56 g/mol, XLogP of 5.71, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 91696433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).