methyl-tris(octa-1,3-dienoxy)silane

C25H42O3Si — CID 87835037

IUPACmethyl-tris(octa-1,3-dienoxy)silane
SMILESCCCCC=CC=CO[Si](C)(OC=CC=CCCCC)OC=CC=CCCCC
InChIInChI=1S/C25H42O3Si/c1-5-8-11-14-17-20-23-26-29(4,27-24-21-18-15-12-9-6-2)28-25-22-19-16-13-10-7-3/h14-25H,5-13H2,1-4H3
InChIKeyJIYICLCXTMWXSP-UHFFFAOYSA-N
MW418.69 g/mol
LogP8.39
Rot. Bonds18

About methyl-tris(octa-1,3-dienoxy)silane

methyl-tris(octa-1,3-dienoxy)silane (PubChem CID 87835037) has the molecular formula C25H42O3Si and a molecular weight of 418.69 g/mol. Its IUPAC name is methyl-tris(octa-1,3-dienoxy)silane.

Molecular Properties

Compound Namemethyl-tris(octa-1,3-dienoxy)silane
PubChem CID87835037
Molecular FormulaC25H42O3Si
Molecular Weight418.69 g/mol
Exact Mass418.29
IUPAC Namemethyl-tris(octa-1,3-dienoxy)silane
SMILESCCCCC=CC=CO[Si](C)(OC=CC=CCCCC)OC=CC=CCCCC
InChIInChI=1S/C25H42O3Si/c1-5-8-11-14-17-20-23-26-29(4,27-24-21-18-15-12-9-6-2)28-25-22-19-16-13-10-7-3/h14-25H,5-13H2,1-4H3
InChIKeyJIYICLCXTMWXSP-UHFFFAOYSA-N
XLogP8.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.69
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

tert-butyl-dimethyl-[(1Z,3E)-octa-1,3-dienoxy]silane
CID 11615647
tributyl(octa-1,3-dienoxy)silane
CID 87835700
triethyl(nona-1,3-dienoxy)silane
CID 160869571
hex-1-enoxy(trimethyl)silane
CID 12658886
(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
(1Z,3E)-1-(3-methylbut-2-enoxy)octa-1,3-diene
CID 12000182
1-hexoxyocta-1,3-diene
CID 149151620
(22E)-heptatetraconta-22,24-diene
CID 56629131
(1E)-octa-1,3-dien-1-ol
CID 154003406
(3E,5E)-deca-3,5-dien-1-ol
CID 118460601

Frequently Asked Questions

What is the IUPAC name of methyl-tris(octa-1,3-dienoxy)silane?
The IUPAC name of methyl-tris(octa-1,3-dienoxy)silane (CID 87835037) is methyl-tris(octa-1,3-dienoxy)silane.
What is the SMILES notation for methyl-tris(octa-1,3-dienoxy)silane?
The canonical SMILES for methyl-tris(octa-1,3-dienoxy)silane is CCCCC=CC=CO[Si](C)(OC=CC=CCCCC)OC=CC=CCCCC.
What is the InChIKey of methyl-tris(octa-1,3-dienoxy)silane?
The InChIKey is JIYICLCXTMWXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O3Si/c1-5-8-11-14-17-20-23-26-29(4,27-24-21-18-15-12-9-6-2)28-25-22-19-16-13-10-7-3/h14-25H,5-13H2,1-4H3.
What are the key properties of methyl-tris(octa-1,3-dienoxy)silane?
methyl-tris(octa-1,3-dienoxy)silane has a molecular weight of 418.69 g/mol, XLogP of 8.39, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris(octa-1,3-dienoxy)silane is sourced from PubChem (CID 87835037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).