trimethyl-[(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraen-5-yl]oxysilane

C18H32OSi — CID 10732447

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

About trimethyl-[(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraen-5-yl]oxysilane

trimethyl-[(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraen-5-yl]oxysilane (PubChem CID 10732447) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is trimethyl-[(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraen-5-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraen-5-yl]oxysilane
PubChem CID10732447
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Nametrimethyl-[(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraen-5-yl]oxysilane
SMILESC=C/C(C)=C/C(/C=C(\C)CCC=C(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H32OSi/c1-9-16(4)13-18(19-20(6,7)8)14-17(5)12-10-11-15(2)3/h9,11,13-14,18H,1,10,12H2,2-8H3/b16-13+,17-14+
InChIKeyBOOGEORZJJYLNE-DISAMGIASA-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-[(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraen-5-yl]oxysilane?
The IUPAC name of trimethyl-[(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraen-5-yl]oxysilane (CID 10732447) is trimethyl-[(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraen-5-yl]oxysilane.
What is the SMILES notation for trimethyl-[(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraen-5-yl]oxysilane?
The canonical SMILES for trimethyl-[(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraen-5-yl]oxysilane is C=C/C(C)=C/C(/C=C(\C)CCC=C(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraen-5-yl]oxysilane?
The InChIKey is BOOGEORZJJYLNE-DISAMGIASA-N. The full InChI is InChI=1S/C18H32OSi/c1-9-16(4)13-18(19-20(6,7)8)14-17(5)12-10-11-15(2)3/h9,11,13-14,18H,1,10,12H2,2-8H3/b16-13+,17-14+.
What are the key properties of trimethyl-[(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraen-5-yl]oxysilane?
trimethyl-[(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraen-5-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-[(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraen-5-yl]oxysilane is sourced from PubChem (CID 10732447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).