tert-butyl-dimethyl-[(3E,5S,8Z)-undeca-3,8-dien-1-yn-5-yl]oxysilane

C17H30OSi — CID 138977425

IUPACtert-butyl-dimethyl-[(3E,5S,8Z)-undeca-3,8-dien-1-yn-5-yl]oxysilane
SMILESC#C/C=C/[C@H](CC/C=C\CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30OSi/c1-8-10-12-13-15-16(14-11-9-2)18-19(6,7)17(3,4)5/h2,10-12,14,16H,8,13,15H2,1,3-7H3/b12-10-,14-11+/t16-/m1/s1
InChIKeyNGVYUZNIDQJWFQ-FJIOWZTBSA-N
MW278.51 g/mol
LogP5.31
Rot. Bonds7

About tert-butyl-dimethyl-[(3E,5S,8Z)-undeca-3,8-dien-1-yn-5-yl]oxysilane

tert-butyl-dimethyl-[(3E,5S,8Z)-undeca-3,8-dien-1-yn-5-yl]oxysilane (PubChem CID 138977425) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3E,5S,8Z)-undeca-3,8-dien-1-yn-5-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3E,5S,8Z)-undeca-3,8-dien-1-yn-5-yl]oxysilane
PubChem CID138977425
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Nametert-butyl-dimethyl-[(3E,5S,8Z)-undeca-3,8-dien-1-yn-5-yl]oxysilane
SMILESC#C/C=C/[C@H](CC/C=C\CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30OSi/c1-8-10-12-13-15-16(14-11-9-2)18-19(6,7)17(3,4)5/h2,10-12,14,16H,8,13,15H2,1,3-7H3/b12-10-,14-11+/t16-/m1/s1
InChIKeyNGVYUZNIDQJWFQ-FJIOWZTBSA-N
XLogP5.31
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 ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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

(2-Cyclopenten-1-yloxy)(triisopropyl)silane
CID 10977584
Tert-butyl-cyclopent-2-en-1-yloxy-dimethylsilane
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tert-Butyl(cyclohex-2-enyloxy)dimethylsilane
CID 11085130
[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxy-dimethyl-prop-2-enylsilane
CID 11543224
tert-butyl-[(1S)-cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 12445093
Tert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane
CID 76533361
2-Triisobutylsilyloxyoct-3-ene
CID 5353180
2-Dimethylisopropylsilyloxyoct-3-ene
CID 5353187
2-Tripropylsilyloxyoct-3-ene
CID 5353192
2-Trihexylsilyloxyoct-3-ene
CID 5353195
2-Butyldimethylsilyloxyoct-3-ene
CID 5353198
2-Tributylsilyloxyoct-3-ene
CID 5353200

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3E,5S,8Z)-undeca-3,8-dien-1-yn-5-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3E,5S,8Z)-undeca-3,8-dien-1-yn-5-yl]oxysilane (CID 138977425) is tert-butyl-dimethyl-[(3E,5S,8Z)-undeca-3,8-dien-1-yn-5-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3E,5S,8Z)-undeca-3,8-dien-1-yn-5-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3E,5S,8Z)-undeca-3,8-dien-1-yn-5-yl]oxysilane is C#C/C=C/[C@H](CC/C=C\CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3E,5S,8Z)-undeca-3,8-dien-1-yn-5-yl]oxysilane?
The InChIKey is NGVYUZNIDQJWFQ-FJIOWZTBSA-N. The full InChI is InChI=1S/C17H30OSi/c1-8-10-12-13-15-16(14-11-9-2)18-19(6,7)17(3,4)5/h2,10-12,14,16H,8,13,15H2,1,3-7H3/b12-10-,14-11+/t16-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3E,5S,8Z)-undeca-3,8-dien-1-yn-5-yl]oxysilane?
tert-butyl-dimethyl-[(3E,5S,8Z)-undeca-3,8-dien-1-yn-5-yl]oxysilane has a molecular weight of 278.51 g/mol, XLogP of 5.31, 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,5S,8Z)-undeca-3,8-dien-1-yn-5-yl]oxysilane is sourced from PubChem (CID 138977425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).