tert-butyl-dimethyl-[(2S,3E,5E,7E,9E)-2-methyldodeca-3,5,7,9-tetraen-11-ynoxy]silane

C19H30OSi — CID 11220389

IUPACtert-butyl-dimethyl-[(2S,3E,5E,7E,9E)-2-methyldodeca-3,5,7,9-tetraen-11-ynoxy]silane
SMILESC#C/C=C/C=C/C=C/C=C/[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H30OSi/c1-8-9-10-11-12-13-14-15-16-18(2)17-20-21(6,7)19(3,4)5/h1,9-16,18H,17H2,2-7H3/b10-9+,12-11+,14-13+,16-15+/t18-/m0/s1
InChIKeyYAZZSBFHCXGFPW-KSQGAUQGSA-N
MW302.53 g/mol
LogP5.50
Rot. Bonds7

About tert-butyl-dimethyl-[(2S,3E,5E,7E,9E)-2-methyldodeca-3,5,7,9-tetraen-11-ynoxy]silane

tert-butyl-dimethyl-[(2S,3E,5E,7E,9E)-2-methyldodeca-3,5,7,9-tetraen-11-ynoxy]silane (PubChem CID 11220389) has the molecular formula C19H30OSi and a molecular weight of 302.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S,3E,5E,7E,9E)-2-methyldodeca-3,5,7,9-tetraen-11-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S,3E,5E,7E,9E)-2-methyldodeca-3,5,7,9-tetraen-11-ynoxy]silane
PubChem CID11220389
Molecular FormulaC19H30OSi
Molecular Weight302.53 g/mol
Exact Mass302.21
IUPAC Nametert-butyl-dimethyl-[(2S,3E,5E,7E,9E)-2-methyldodeca-3,5,7,9-tetraen-11-ynoxy]silane
SMILESC#C/C=C/C=C/C=C/C=C/[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H30OSi/c1-8-9-10-11-12-13-14-15-16-18(2)17-20-21(6,7)19(3,4)5/h1,9-16,18H,17H2,2-7H3/b10-9+,12-11+,14-13+,16-15+/t18-/m0/s1
InChIKeyYAZZSBFHCXGFPW-KSQGAUQGSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.53
LogP ≤ 55.50
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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Related Compounds

[(3E,5E,7E,9E)-dodeca-3,5,7,9-tetraen-11-ynoxy]-tri(propan-2-yl)silane
CID 10882108
tert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 11163885
tert-butyl-[(2R,3Z,5E)-4-ethynyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 11336947
tert-butyl-dimethyl-[(2S,3E,5E)-2-methylocta-3,5-dien-7-ynoxy]silane
CID 11345720
[(3E,5Z,7R)-5-bromo-8-[tert-butyl(dimethyl)silyl]oxy-7-methylocta-3,5-dien-1-ynyl]-trimethylsilane
CID 11475115
tert-butyl-[(3E,5E,7E)-deca-3,5,7-trien-9-ynoxy]-dimethylsilane
CID 12073746
tert-butyl-[(E,2S)-2,4-dimethylhex-3-en-5-ynoxy]-dimethylsilane
CID 16079534
tert-butyl-[(2R,3Z,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 101267042
tert-butyl-[(2S,3Z)-2,4-dimethylhexa-3,5-dienoxy]-dimethylsilane
CID 101396175
tert-butyl-[(E)-hept-3-en-5-ynoxy]-dimethylsilane
CID 102422553
tert-butyl-dimethyl-[(Z)-2-methylpent-3-enoxy]silane
CID 121002382
tert-butyl-[(3E,5E,7E,9E)-dodeca-3,5,7,9-tetraen-11-ynoxy]-dimethylsilane
CID 134887388

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S,3E,5E,7E,9E)-2-methyldodeca-3,5,7,9-tetraen-11-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2S,3E,5E,7E,9E)-2-methyldodeca-3,5,7,9-tetraen-11-ynoxy]silane (CID 11220389) is tert-butyl-dimethyl-[(2S,3E,5E,7E,9E)-2-methyldodeca-3,5,7,9-tetraen-11-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S,3E,5E,7E,9E)-2-methyldodeca-3,5,7,9-tetraen-11-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2S,3E,5E,7E,9E)-2-methyldodeca-3,5,7,9-tetraen-11-ynoxy]silane is C#C/C=C/C=C/C=C/C=C/[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S,3E,5E,7E,9E)-2-methyldodeca-3,5,7,9-tetraen-11-ynoxy]silane?
The InChIKey is YAZZSBFHCXGFPW-KSQGAUQGSA-N. The full InChI is InChI=1S/C19H30OSi/c1-8-9-10-11-12-13-14-15-16-18(2)17-20-21(6,7)19(3,4)5/h1,9-16,18H,17H2,2-7H3/b10-9+,12-11+,14-13+,16-15+/t18-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S,3E,5E,7E,9E)-2-methyldodeca-3,5,7,9-tetraen-11-ynoxy]silane?
tert-butyl-dimethyl-[(2S,3E,5E,7E,9E)-2-methyldodeca-3,5,7,9-tetraen-11-ynoxy]silane has a molecular weight of 302.53 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S,3E,5E,7E,9E)-2-methyldodeca-3,5,7,9-tetraen-11-ynoxy]silane is sourced from PubChem (CID 11220389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).