tert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane

C17H32OSi — CID 102072944

IUPACtert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane
SMILESCCCCCC#C/C=C/C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi/c1-8-9-10-11-12-13-14-15-16(2)18-19(6,7)17(3,4)5/h14-16H,8-11H2,1-7H3/b15-14+
InChIKeyFCBMXWVGORXULW-CCEZHUSRSA-N
MW280.53 g/mol
LogP5.54
Rot. Bonds6

About tert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane

tert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane (PubChem CID 102072944) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane
PubChem CID102072944
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Nametert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane
SMILESCCCCCC#C/C=C/C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi/c1-8-9-10-11-12-13-14-15-16(2)18-19(6,7)17(3,4)5/h14-16H,8-11H2,1-7H3/b15-14+
InChIKeyFCBMXWVGORXULW-CCEZHUSRSA-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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Related Compounds

tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane
CID 134856373
tert-butyl-[(10S)-henicos-7-yn-10-yl]oxy-dimethylsilane
CID 156597203
tert-butyl-dimethyl-[(E)-undec-4-en-6-ynoxy]silane
CID 23240903
tert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane
CID 71377830
tert-butyl-[(4S)-dec-5-yn-4-yl]oxy-dimethylsilane
CID 154722512
tert-butyl-dimethyl-[(6S,7R,8Z)-7-methyltetradeca-8,10-dien-12-yn-6-yl]oxysilane
CID 173483439
tert-butyl-[(5S)-1-methoxytrideca-2,3-dien-7-yn-5-yl]oxy-dimethylsilane
CID 15459009
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
dec-2-en-4-yne
CID 54142868
tert-butyl-dimethyl-[(7E,9Z)-12-trimethylsilyldodeca-7,9-dien-11-yn-6-yl]oxysilane
CID 11024906
[(5R)-19-bromononadec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane
CID 87948326

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane (CID 102072944) is tert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane is CCCCCC#C/C=C/C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane?
The InChIKey is FCBMXWVGORXULW-CCEZHUSRSA-N. The full InChI is InChI=1S/C17H32OSi/c1-8-9-10-11-12-13-14-15-16(2)18-19(6,7)17(3,4)5/h14-16H,8-11H2,1-7H3/b15-14+.
What are the key properties of tert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane?
tert-butyl-dimethyl-[(E)-undec-3-en-5-yn-2-yl]oxysilane 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)-undec-3-en-5-yn-2-yl]oxysilane is sourced from PubChem (CID 102072944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).