tert-butyl-dimethyl-[(E)-3-methyldec-2-en-4-ynoxy]silane

C17H32OSi — CID 11065854

IUPACtert-butyl-dimethyl-[(E)-3-methyldec-2-en-4-ynoxy]silane
SMILESCCCCCC#C/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi/c1-8-9-10-11-12-13-16(2)14-15-18-19(6,7)17(3,4)5/h14H,8-11,15H2,1-7H3/b16-14+
InChIKeyJESOMAUXPLOFAZ-JQIJEIRASA-N
MW280.53 g/mol
LogP5.54
Rot. Bonds6

About tert-butyl-dimethyl-[(E)-3-methyldec-2-en-4-ynoxy]silane

tert-butyl-dimethyl-[(E)-3-methyldec-2-en-4-ynoxy]silane (PubChem CID 11065854) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-3-methyldec-2-en-4-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-3-methyldec-2-en-4-ynoxy]silane
PubChem CID11065854
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Nametert-butyl-dimethyl-[(E)-3-methyldec-2-en-4-ynoxy]silane
SMILESCCCCCC#C/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi/c1-8-9-10-11-12-13-16(2)14-15-18-19(6,7)17(3,4)5/h14H,8-11,15H2,1-7H3/b16-14+
InChIKeyJESOMAUXPLOFAZ-JQIJEIRASA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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-[(E)-3-methyldec-2-en-4-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-3-methyldec-2-en-4-ynoxy]silane (CID 11065854) is tert-butyl-dimethyl-[(E)-3-methyldec-2-en-4-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-3-methyldec-2-en-4-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-3-methyldec-2-en-4-ynoxy]silane is CCCCCC#C/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-3-methyldec-2-en-4-ynoxy]silane?
The InChIKey is JESOMAUXPLOFAZ-JQIJEIRASA-N. The full InChI is InChI=1S/C17H32OSi/c1-8-9-10-11-12-13-16(2)14-15-18-19(6,7)17(3,4)5/h14H,8-11,15H2,1-7H3/b16-14+.
What are the key properties of tert-butyl-dimethyl-[(E)-3-methyldec-2-en-4-ynoxy]silane?
tert-butyl-dimethyl-[(E)-3-methyldec-2-en-4-ynoxy]silane has a molecular weight of 280.53 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-3-methyldec-2-en-4-ynoxy]silane is sourced from PubChem (CID 11065854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).