tert-butyl-[(3E,5E,7E)-deca-3,5,7-trien-9-ynoxy]-dimethylsilane

C16H26OSi — CID 12073746

IUPACtert-butyl-[(3E,5E,7E)-deca-3,5,7-trien-9-ynoxy]-dimethylsilane
SMILESC#C/C=C/C=C/C=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26OSi/c1-7-8-9-10-11-12-13-14-15-17-18(5,6)16(2,3)4/h1,8-13H,14-15H2,2-6H3/b9-8+,11-10+,13-12+
InChIKeyXONKZLLVUQOTPK-GTEMLCSVSA-N
MW262.47 g/mol
LogP4.70
Rot. Bonds6

About tert-butyl-[(3E,5E,7E)-deca-3,5,7-trien-9-ynoxy]-dimethylsilane

tert-butyl-[(3E,5E,7E)-deca-3,5,7-trien-9-ynoxy]-dimethylsilane (PubChem CID 12073746) has the molecular formula C16H26OSi and a molecular weight of 262.47 g/mol. Its IUPAC name is tert-butyl-[(3E,5E,7E)-deca-3,5,7-trien-9-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3E,5E,7E)-deca-3,5,7-trien-9-ynoxy]-dimethylsilane
PubChem CID12073746
Molecular FormulaC16H26OSi
Molecular Weight262.47 g/mol
Exact Mass262.18
IUPAC Nametert-butyl-[(3E,5E,7E)-deca-3,5,7-trien-9-ynoxy]-dimethylsilane
SMILESC#C/C=C/C=C/C=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H26OSi/c1-7-8-9-10-11-12-13-14-15-17-18(5,6)16(2,3)4/h1,8-13H,14-15H2,2-6H3/b9-8+,11-10+,13-12+
InChIKeyXONKZLLVUQOTPK-GTEMLCSVSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 54.70
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': '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-dimethyl-[(2S,3E,5E)-2-methylocta-3,5-dien-7-ynoxy]silane
CID 11345720
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
(e)-t-Butyl(dimethyl)(non-3-en-8-yn-1-yloxy)-silane
CID 132278645

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3E,5E,7E)-deca-3,5,7-trien-9-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3E,5E,7E)-deca-3,5,7-trien-9-ynoxy]-dimethylsilane (CID 12073746) is tert-butyl-[(3E,5E,7E)-deca-3,5,7-trien-9-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3E,5E,7E)-deca-3,5,7-trien-9-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3E,5E,7E)-deca-3,5,7-trien-9-ynoxy]-dimethylsilane is C#C/C=C/C=C/C=C/CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3E,5E,7E)-deca-3,5,7-trien-9-ynoxy]-dimethylsilane?
The InChIKey is XONKZLLVUQOTPK-GTEMLCSVSA-N. The full InChI is InChI=1S/C16H26OSi/c1-7-8-9-10-11-12-13-14-15-17-18(5,6)16(2,3)4/h1,8-13H,14-15H2,2-6H3/b9-8+,11-10+,13-12+.
What are the key properties of tert-butyl-[(3E,5E,7E)-deca-3,5,7-trien-9-ynoxy]-dimethylsilane?
tert-butyl-[(3E,5E,7E)-deca-3,5,7-trien-9-ynoxy]-dimethylsilane has a molecular weight of 262.47 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3E,5E,7E)-deca-3,5,7-trien-9-ynoxy]-dimethylsilane is sourced from PubChem (CID 12073746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).