tert-butyl-dimethyl-[(8E,10E)-7-methyltrideca-8,10-dien-3,12-diyn-6-yl]oxysilane

C20H32OSi — CID 59153464

IUPACtert-butyl-dimethyl-[(8E,10E)-7-methyltrideca-8,10-dien-3,12-diyn-6-yl]oxysilane
SMILESC#C/C=C/C=C/C(C)C(CC#CCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H32OSi/c1-9-11-13-15-16-18(3)19(17-14-12-10-2)21-22(7,8)20(4,5)6/h1,11,13,15-16,18-19H,10,17H2,2-8H3/b13-11+,16-15+
InChIKeyYIPLVFKTSSFWFL-FYNKLQMPSA-N
MW316.56 g/mol
LogP5.56
Rot. Bonds6

About tert-butyl-dimethyl-[(8E,10E)-7-methyltrideca-8,10-dien-3,12-diyn-6-yl]oxysilane

tert-butyl-dimethyl-[(8E,10E)-7-methyltrideca-8,10-dien-3,12-diyn-6-yl]oxysilane (PubChem CID 59153464) has the molecular formula C20H32OSi and a molecular weight of 316.56 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(8E,10E)-7-methyltrideca-8,10-dien-3,12-diyn-6-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(8E,10E)-7-methyltrideca-8,10-dien-3,12-diyn-6-yl]oxysilane
PubChem CID59153464
Molecular FormulaC20H32OSi
Molecular Weight316.56 g/mol
Exact Mass316.22
IUPAC Nametert-butyl-dimethyl-[(8E,10E)-7-methyltrideca-8,10-dien-3,12-diyn-6-yl]oxysilane
SMILESC#C/C=C/C=C/C(C)C(CC#CCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H32OSi/c1-9-11-13-15-16-18(3)19(17-14-12-10-2)21-22(7,8)20(4,5)6/h1,11,13,15-16,18-19H,10,17H2,2-8H3/b13-11+,16-15+
InChIKeyYIPLVFKTSSFWFL-FYNKLQMPSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.56
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(8E,10E)-7-methyltrideca-8,10-dien-3,12-diyn-6-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(8E,10E)-7-methyltrideca-8,10-dien-3,12-diyn-6-yl]oxysilane (CID 59153464) is tert-butyl-dimethyl-[(8E,10E)-7-methyltrideca-8,10-dien-3,12-diyn-6-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(8E,10E)-7-methyltrideca-8,10-dien-3,12-diyn-6-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(8E,10E)-7-methyltrideca-8,10-dien-3,12-diyn-6-yl]oxysilane is C#C/C=C/C=C/C(C)C(CC#CCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(8E,10E)-7-methyltrideca-8,10-dien-3,12-diyn-6-yl]oxysilane?
The InChIKey is YIPLVFKTSSFWFL-FYNKLQMPSA-N. The full InChI is InChI=1S/C20H32OSi/c1-9-11-13-15-16-18(3)19(17-14-12-10-2)21-22(7,8)20(4,5)6/h1,11,13,15-16,18-19H,10,17H2,2-8H3/b13-11+,16-15+.
What are the key properties of tert-butyl-dimethyl-[(8E,10E)-7-methyltrideca-8,10-dien-3,12-diyn-6-yl]oxysilane?
tert-butyl-dimethyl-[(8E,10E)-7-methyltrideca-8,10-dien-3,12-diyn-6-yl]oxysilane has a molecular weight of 316.56 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(8E,10E)-7-methyltrideca-8,10-dien-3,12-diyn-6-yl]oxysilane is sourced from PubChem (CID 59153464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).