trimethyl-[(1E)-1-[(2-methylpropan-2-yl)oxy]dodeca-1,11-dienoxy]silane

C19H38O2Si — CID 101443254

IUPACtrimethyl-[(1E)-1-[(2-methylpropan-2-yl)oxy]dodeca-1,11-dienoxy]silane
SMILESC=CCCCCCCCC/C=C(\OC(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H38O2Si/c1-8-9-10-11-12-13-14-15-16-17-18(20-19(2,3)4)21-22(5,6)7/h8,17H,1,9-16H2,2-7H3/b18-17+
InChIKeyUKTTXSFCMZOHNJ-ISLYRVAYSA-N
MW326.60 g/mol
LogP6.80
Rot. Bonds12

About trimethyl-[(1E)-1-[(2-methylpropan-2-yl)oxy]dodeca-1,11-dienoxy]silane

trimethyl-[(1E)-1-[(2-methylpropan-2-yl)oxy]dodeca-1,11-dienoxy]silane (PubChem CID 101443254) has the molecular formula C19H38O2Si and a molecular weight of 326.60 g/mol. Its IUPAC name is trimethyl-[(1E)-1-[(2-methylpropan-2-yl)oxy]dodeca-1,11-dienoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(1E)-1-[(2-methylpropan-2-yl)oxy]dodeca-1,11-dienoxy]silane
PubChem CID101443254
Molecular FormulaC19H38O2Si
Molecular Weight326.60 g/mol
Exact Mass326.26
IUPAC Nametrimethyl-[(1E)-1-[(2-methylpropan-2-yl)oxy]dodeca-1,11-dienoxy]silane
SMILESC=CCCCCCCCC/C=C(\OC(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H38O2Si/c1-8-9-10-11-12-13-14-15-16-17-18(20-19(2,3)4)21-22(5,6)7/h8,17H,1,9-16H2,2-7H3/b18-17+
InChIKeyUKTTXSFCMZOHNJ-ISLYRVAYSA-N
XLogP6.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.60
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[(Z)-1-[(2-methylpropan-2-yl)oxy]prop-1-enoxy]silane
CID 10878232
trimethyl-[(E)-1-[(2-methylpropan-2-yl)oxy]-3-phenylprop-1-enoxy]silane
CID 71271588
[(E)-1-methoxyhept-1-enoxy]-trimethylsilane
CID 11321899
[(E)-1-ethoxyhept-1-enoxy]-trimethylsilane
CID 12886687
tert-butyl-dimethyl-octadec-17-enoxysilane
CID 24879926
tert-butyl N-methyl-N-pent-4-enylcarbamate
CID 20756745
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
tert-butyl 2-(pent-4-enylamino)acetate
CID 86171439
trimethyl(tridec-6-en-7-yloxy)silane
CID 71373988
hept-6-enoxysilyloxy(trimethyl)silane
CID 123996335
docos-21-enyl-dihydroxy-methoxysilane
CID 123262992

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1E)-1-[(2-methylpropan-2-yl)oxy]dodeca-1,11-dienoxy]silane?
The IUPAC name of trimethyl-[(1E)-1-[(2-methylpropan-2-yl)oxy]dodeca-1,11-dienoxy]silane (CID 101443254) is trimethyl-[(1E)-1-[(2-methylpropan-2-yl)oxy]dodeca-1,11-dienoxy]silane.
What is the SMILES notation for trimethyl-[(1E)-1-[(2-methylpropan-2-yl)oxy]dodeca-1,11-dienoxy]silane?
The canonical SMILES for trimethyl-[(1E)-1-[(2-methylpropan-2-yl)oxy]dodeca-1,11-dienoxy]silane is C=CCCCCCCCC/C=C(\OC(C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(1E)-1-[(2-methylpropan-2-yl)oxy]dodeca-1,11-dienoxy]silane?
The InChIKey is UKTTXSFCMZOHNJ-ISLYRVAYSA-N. The full InChI is InChI=1S/C19H38O2Si/c1-8-9-10-11-12-13-14-15-16-17-18(20-19(2,3)4)21-22(5,6)7/h8,17H,1,9-16H2,2-7H3/b18-17+.
What are the key properties of trimethyl-[(1E)-1-[(2-methylpropan-2-yl)oxy]dodeca-1,11-dienoxy]silane?
trimethyl-[(1E)-1-[(2-methylpropan-2-yl)oxy]dodeca-1,11-dienoxy]silane has a molecular weight of 326.60 g/mol, XLogP of 6.80, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1E)-1-[(2-methylpropan-2-yl)oxy]dodeca-1,11-dienoxy]silane is sourced from PubChem (CID 101443254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).