tert-butyl-dimethyl-[(2S,3E,5E)-2-methylocta-3,5-dien-7-ynoxy]silane

C15H26OSi — CID 11345720

IUPACtert-butyl-dimethyl-[(2S,3E,5E)-2-methylocta-3,5-dien-7-ynoxy]silane
SMILESC#C/C=C/C=C/[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26OSi/c1-8-9-10-11-12-14(2)13-16-17(6,7)15(3,4)5/h1,9-12,14H,13H2,2-7H3/b10-9+,12-11+/t14-/m0/s1
InChIKeyNHNMXOBNYNXRFS-YATWOAAGSA-N
MW250.46 g/mol
LogP4.39
Rot. Bonds5

About tert-butyl-dimethyl-[(2S,3E,5E)-2-methylocta-3,5-dien-7-ynoxy]silane

tert-butyl-dimethyl-[(2S,3E,5E)-2-methylocta-3,5-dien-7-ynoxy]silane (PubChem CID 11345720) has the molecular formula C15H26OSi and a molecular weight of 250.46 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S,3E,5E)-2-methylocta-3,5-dien-7-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S,3E,5E)-2-methylocta-3,5-dien-7-ynoxy]silane
PubChem CID11345720
Molecular FormulaC15H26OSi
Molecular Weight250.46 g/mol
Exact Mass250.18
IUPAC Nametert-butyl-dimethyl-[(2S,3E,5E)-2-methylocta-3,5-dien-7-ynoxy]silane
SMILESC#C/C=C/C=C/[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26OSi/c1-8-9-10-11-12-14(2)13-16-17(6,7)15(3,4)5/h1,9-12,14H,13H2,2-7H3/b10-9+,12-11+/t14-/m0/s1
InChIKeyNHNMXOBNYNXRFS-YATWOAAGSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.46
LogP ≤ 54.39
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

trans-3-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 12010767
cis-3-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91722567
tert-Butyl(hepta-3,6-dienyloxy)dimethylsilane
CID 14214598
[(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-dimethyl-[(2S,3E,5E,7E,9E)-2-methyldodeca-3,5,7,9-tetraen-11-ynoxy]silane
CID 11220389
tert-butyl-[(2R,3Z,5E)-4-ethynyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 11336947
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S,3E,5E)-2-methylocta-3,5-dien-7-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2S,3E,5E)-2-methylocta-3,5-dien-7-ynoxy]silane (CID 11345720) is tert-butyl-dimethyl-[(2S,3E,5E)-2-methylocta-3,5-dien-7-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S,3E,5E)-2-methylocta-3,5-dien-7-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2S,3E,5E)-2-methylocta-3,5-dien-7-ynoxy]silane is 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)-2-methylocta-3,5-dien-7-ynoxy]silane?
The InChIKey is NHNMXOBNYNXRFS-YATWOAAGSA-N. The full InChI is InChI=1S/C15H26OSi/c1-8-9-10-11-12-14(2)13-16-17(6,7)15(3,4)5/h1,9-12,14H,13H2,2-7H3/b10-9+,12-11+/t14-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S,3E,5E)-2-methylocta-3,5-dien-7-ynoxy]silane?
tert-butyl-dimethyl-[(2S,3E,5E)-2-methylocta-3,5-dien-7-ynoxy]silane has a molecular weight of 250.46 g/mol, XLogP of 4.39, 5 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)-2-methylocta-3,5-dien-7-ynoxy]silane is sourced from PubChem (CID 11345720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).