trimethyl-[(5E,9E)-2,6,10-trimethyldodeca-2,5,9,11-tetraen-4-yl]oxysilane

C18H32OSi — CID 91696473

IUPACtrimethyl-[(5E,9E)-2,6,10-trimethyldodeca-2,5,9,11-tetraen-4-yl]oxysilane
SMILESC=C/C(C)=C/CC/C(C)=C/C(C=C(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H32OSi/c1-9-16(4)11-10-12-17(5)14-18(13-15(2)3)19-20(6,7)8/h9,11,13-14,18H,1,10,12H2,2-8H3/b16-11+,17-14+
InChIKeySAIICHMRYVYQKU-GIROIBLESA-N
MW292.54 g/mol
LogP6.03
Rot. Bonds8

About trimethyl-[(5E,9E)-2,6,10-trimethyldodeca-2,5,9,11-tetraen-4-yl]oxysilane

trimethyl-[(5E,9E)-2,6,10-trimethyldodeca-2,5,9,11-tetraen-4-yl]oxysilane (PubChem CID 91696473) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is trimethyl-[(5E,9E)-2,6,10-trimethyldodeca-2,5,9,11-tetraen-4-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(5E,9E)-2,6,10-trimethyldodeca-2,5,9,11-tetraen-4-yl]oxysilane
PubChem CID91696473
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Nametrimethyl-[(5E,9E)-2,6,10-trimethyldodeca-2,5,9,11-tetraen-4-yl]oxysilane
SMILESC=C/C(C)=C/CC/C(C)=C/C(C=C(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H32OSi/c1-9-16(4)11-10-12-17(5)14-18(13-15(2)3)19-20(6,7)8/h9,11,13-14,18H,1,10,12H2,2-8H3/b16-11+,17-14+
InChIKeySAIICHMRYVYQKU-GIROIBLESA-N
XLogP6.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 56.03
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(5E,9E)-2,6,10-trimethyldodeca-2,5,9,11-tetraen-4-yl]oxysilane?
The IUPAC name of trimethyl-[(5E,9E)-2,6,10-trimethyldodeca-2,5,9,11-tetraen-4-yl]oxysilane (CID 91696473) is trimethyl-[(5E,9E)-2,6,10-trimethyldodeca-2,5,9,11-tetraen-4-yl]oxysilane.
What is the SMILES notation for trimethyl-[(5E,9E)-2,6,10-trimethyldodeca-2,5,9,11-tetraen-4-yl]oxysilane?
The canonical SMILES for trimethyl-[(5E,9E)-2,6,10-trimethyldodeca-2,5,9,11-tetraen-4-yl]oxysilane is C=C/C(C)=C/CC/C(C)=C/C(C=C(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(5E,9E)-2,6,10-trimethyldodeca-2,5,9,11-tetraen-4-yl]oxysilane?
The InChIKey is SAIICHMRYVYQKU-GIROIBLESA-N. The full InChI is InChI=1S/C18H32OSi/c1-9-16(4)11-10-12-17(5)14-18(13-15(2)3)19-20(6,7)8/h9,11,13-14,18H,1,10,12H2,2-8H3/b16-11+,17-14+.
What are the key properties of trimethyl-[(5E,9E)-2,6,10-trimethyldodeca-2,5,9,11-tetraen-4-yl]oxysilane?
trimethyl-[(5E,9E)-2,6,10-trimethyldodeca-2,5,9,11-tetraen-4-yl]oxysilane has a molecular weight of 292.54 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(5E,9E)-2,6,10-trimethyldodeca-2,5,9,11-tetraen-4-yl]oxysilane is sourced from PubChem (CID 91696473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).