tert-butyl-dimethyl-[(E,6R)-undec-4-en-1-yn-6-yl]oxysilane

C17H32OSi — CID 138967347

IUPACtert-butyl-dimethyl-[(E,6R)-undec-4-en-1-yn-6-yl]oxysilane
SMILESC#CC/C=C/[C@@H](CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi/c1-8-10-12-14-16(15-13-11-9-2)18-19(6,7)17(3,4)5/h1,12,14,16H,9-11,13,15H2,2-7H3/b14-12+/t16-/m0/s1
InChIKeyOORWZBMEUWCJHM-GRNBYLDVSA-N
MW280.53 g/mol
LogP5.54
Rot. Bonds8

About tert-butyl-dimethyl-[(E,6R)-undec-4-en-1-yn-6-yl]oxysilane

tert-butyl-dimethyl-[(E,6R)-undec-4-en-1-yn-6-yl]oxysilane (PubChem CID 138967347) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,6R)-undec-4-en-1-yn-6-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,6R)-undec-4-en-1-yn-6-yl]oxysilane
PubChem CID138967347
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Nametert-butyl-dimethyl-[(E,6R)-undec-4-en-1-yn-6-yl]oxysilane
SMILESC#CC/C=C/[C@@H](CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi/c1-8-10-12-14-16(15-13-11-9-2)18-19(6,7)17(3,4)5/h1,12,14,16H,9-11,13,15H2,2-7H3/b14-12+/t16-/m0/s1
InChIKeyOORWZBMEUWCJHM-GRNBYLDVSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane
CID 11247187
[(1S)-cyclohex-2-en-1-yl]oxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane
CID 11393435
[(Z,3S)-1-bromododec-4-en-1-yn-3-yl]oxy-tert-butyl-dimethylsilane
CID 24777979
[(2Z,5E)-6,10-dimethyl-2-pent-4-ynylideneundeca-5,9-dienoxy]-tri(propan-2-yl)silane
CID 44238355
triethyl-[(E)-3-methyldodec-2-en-5-yn-4-yl]oxysilane
CID 46895233
tert-butyl-dimethyl-[(Z)-octadec-9-en-6-yl]oxysilane
CID 134866255
tri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane
CID 134875143
tert-butyl-dimethyl-[(4R,5E,7Z)-trideca-5,7-dien-1-yn-4-yl]oxysilane
CID 134884613
1-(Cyclohexen-1-yl)but-3-ynoxy-triethylsilane
CID 135023459
tert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane
CID 138967662
tert-butyl-dimethyl-[(Z,3S)-1-tri(propan-2-yl)silyldodec-4-en-1-yn-3-yl]oxysilane
CID 138977047
tert-butyl-dimethyl-[(3E,5S,8Z)-undeca-3,8-dien-1-yn-5-yl]oxysilane
CID 138977425

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,6R)-undec-4-en-1-yn-6-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E,6R)-undec-4-en-1-yn-6-yl]oxysilane (CID 138967347) is tert-butyl-dimethyl-[(E,6R)-undec-4-en-1-yn-6-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,6R)-undec-4-en-1-yn-6-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E,6R)-undec-4-en-1-yn-6-yl]oxysilane is C#CC/C=C/[C@@H](CCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E,6R)-undec-4-en-1-yn-6-yl]oxysilane?
The InChIKey is OORWZBMEUWCJHM-GRNBYLDVSA-N. The full InChI is InChI=1S/C17H32OSi/c1-8-10-12-14-16(15-13-11-9-2)18-19(6,7)17(3,4)5/h1,12,14,16H,9-11,13,15H2,2-7H3/b14-12+/t16-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(E,6R)-undec-4-en-1-yn-6-yl]oxysilane?
tert-butyl-dimethyl-[(E,6R)-undec-4-en-1-yn-6-yl]oxysilane has a molecular weight of 280.53 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,6R)-undec-4-en-1-yn-6-yl]oxysilane is sourced from PubChem (CID 138967347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).