tert-butyl-dimethyl-[(3E,7E)-9-methyldeca-1,3,7,9-tetraen-2-yl]oxysilane

C17H30OSi — CID 11000407

IUPACtert-butyl-dimethyl-[(3E,7E)-9-methyldeca-1,3,7,9-tetraen-2-yl]oxysilane
SMILESC=C(C)/C=C/CC/C=C/C(=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30OSi/c1-15(2)13-11-9-10-12-14-16(3)18-19(7,8)17(4,5)6/h11-14H,1,3,9-10H2,2,4-8H3/b13-11+,14-12+
InChIKeyHRTNUNILXZSDHN-PHEQNACWSA-N
MW278.51 g/mol
LogP5.99
Rot. Bonds7

About tert-butyl-dimethyl-[(3E,7E)-9-methyldeca-1,3,7,9-tetraen-2-yl]oxysilane

tert-butyl-dimethyl-[(3E,7E)-9-methyldeca-1,3,7,9-tetraen-2-yl]oxysilane (PubChem CID 11000407) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3E,7E)-9-methyldeca-1,3,7,9-tetraen-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3E,7E)-9-methyldeca-1,3,7,9-tetraen-2-yl]oxysilane
PubChem CID11000407
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Nametert-butyl-dimethyl-[(3E,7E)-9-methyldeca-1,3,7,9-tetraen-2-yl]oxysilane
SMILESC=C(C)/C=C/CC/C=C/C(=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30OSi/c1-15(2)13-11-9-10-12-14-16(3)18-19(7,8)17(4,5)6/h11-14H,1,3,9-10H2,2,4-8H3/b13-11+,14-12+
InChIKeyHRTNUNILXZSDHN-PHEQNACWSA-N
XLogP5.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.51
LogP ≤ 55.99
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3E,7E)-9-methyldeca-1,3,7,9-tetraen-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3E,7E)-9-methyldeca-1,3,7,9-tetraen-2-yl]oxysilane (CID 11000407) is tert-butyl-dimethyl-[(3E,7E)-9-methyldeca-1,3,7,9-tetraen-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3E,7E)-9-methyldeca-1,3,7,9-tetraen-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3E,7E)-9-methyldeca-1,3,7,9-tetraen-2-yl]oxysilane is C=C(C)/C=C/CC/C=C/C(=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3E,7E)-9-methyldeca-1,3,7,9-tetraen-2-yl]oxysilane?
The InChIKey is HRTNUNILXZSDHN-PHEQNACWSA-N. The full InChI is InChI=1S/C17H30OSi/c1-15(2)13-11-9-10-12-14-16(3)18-19(7,8)17(4,5)6/h11-14H,1,3,9-10H2,2,4-8H3/b13-11+,14-12+.
What are the key properties of tert-butyl-dimethyl-[(3E,7E)-9-methyldeca-1,3,7,9-tetraen-2-yl]oxysilane?
tert-butyl-dimethyl-[(3E,7E)-9-methyldeca-1,3,7,9-tetraen-2-yl]oxysilane has a molecular weight of 278.51 g/mol, XLogP of 5.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3E,7E)-9-methyldeca-1,3,7,9-tetraen-2-yl]oxysilane is sourced from PubChem (CID 11000407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).