tributyl(octa-1,3-dienoxy)silane

C20H40OSi — CID 87835700

IUPACtributyl(octa-1,3-dienoxy)silane
SMILESCCCCC=CC=CO[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C20H40OSi/c1-5-9-13-14-15-16-17-21-22(18-10-6-2,19-11-7-3)20-12-8-4/h14-17H,5-13,18-20H2,1-4H3
InChIKeyVMHCLBUEEZUHSH-UHFFFAOYSA-N
MW324.63 g/mol
LogP7.61
Rot. Bonds15

About tributyl(octa-1,3-dienoxy)silane

tributyl(octa-1,3-dienoxy)silane (PubChem CID 87835700) has the molecular formula C20H40OSi and a molecular weight of 324.63 g/mol. Its IUPAC name is tributyl(octa-1,3-dienoxy)silane.

Molecular Properties

Compound Nametributyl(octa-1,3-dienoxy)silane
PubChem CID87835700
Molecular FormulaC20H40OSi
Molecular Weight324.63 g/mol
Exact Mass324.28
IUPAC Nametributyl(octa-1,3-dienoxy)silane
SMILESCCCCC=CC=CO[Si](CCCC)(CCCC)CCCC
InChIInChI=1S/C20H40OSi/c1-5-9-13-14-15-16-17-21-22(18-10-6-2,19-11-7-3)20-12-8-4/h14-17H,5-13,18-20H2,1-4H3
InChIKeyVMHCLBUEEZUHSH-UHFFFAOYSA-N
XLogP7.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.63
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

triethyl(nona-1,3-dienoxy)silane
CID 160869571
methyl-tris(octa-1,3-dienoxy)silane
CID 87835037
tert-butyl-dimethyl-[(1Z,3E)-octa-1,3-dienoxy]silane
CID 11615647
tributyl-[(8E)-dodeca-8,10-dienoxy]silane
CID 173412990
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
1-nona-1,3-dienoxynona-1,3-diene
CID 57138043
hex-1-enoxy(trimethyl)silane
CID 12658886
(5E,7E)-13-iodotrideca-5,7-diene
CID 146189527
(5Z,7E)-16-iodohexadeca-5,7-diene
CID 146189479
15-iodopentadeca-5,7-diene
CID 151726430
octa-1,3-dienyl(tripentoxy)silane
CID 153307537

Frequently Asked Questions

What is the IUPAC name of tributyl(octa-1,3-dienoxy)silane?
The IUPAC name of tributyl(octa-1,3-dienoxy)silane (CID 87835700) is tributyl(octa-1,3-dienoxy)silane.
What is the SMILES notation for tributyl(octa-1,3-dienoxy)silane?
The canonical SMILES for tributyl(octa-1,3-dienoxy)silane is CCCCC=CC=CO[Si](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(octa-1,3-dienoxy)silane?
The InChIKey is VMHCLBUEEZUHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40OSi/c1-5-9-13-14-15-16-17-21-22(18-10-6-2,19-11-7-3)20-12-8-4/h14-17H,5-13,18-20H2,1-4H3.
What are the key properties of tributyl(octa-1,3-dienoxy)silane?
tributyl(octa-1,3-dienoxy)silane has a molecular weight of 324.63 g/mol, XLogP of 7.61, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(octa-1,3-dienoxy)silane is sourced from PubChem (CID 87835700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).