tert-butyl-[(E)-4-(1-methoxyethyl)hept-4-en-2,6-diynoxy]-dimethylsilane

C16H26O2Si — CID 24773156

IUPACtert-butyl-[(E)-4-(1-methoxyethyl)hept-4-en-2,6-diynoxy]-dimethylsilane
SMILESC#C/C=C(\C#CCO[Si](C)(C)C(C)(C)C)C(C)OC
InChIInChI=1S/C16H26O2Si/c1-9-11-15(14(2)17-6)12-10-13-18-19(7,8)16(3,4)5/h1,11,14H,13H2,2-8H3/b15-11+
InChIKeyXLNHVKMDDFSFEQ-RVDMUPIBSA-N
MW278.47 g/mol
LogP3.61
Rot. Bonds4

About tert-butyl-[(E)-4-(1-methoxyethyl)hept-4-en-2,6-diynoxy]-dimethylsilane

tert-butyl-[(E)-4-(1-methoxyethyl)hept-4-en-2,6-diynoxy]-dimethylsilane (PubChem CID 24773156) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is tert-butyl-[(E)-4-(1-methoxyethyl)hept-4-en-2,6-diynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-4-(1-methoxyethyl)hept-4-en-2,6-diynoxy]-dimethylsilane
PubChem CID24773156
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Nametert-butyl-[(E)-4-(1-methoxyethyl)hept-4-en-2,6-diynoxy]-dimethylsilane
SMILESC#C/C=C(\C#CCO[Si](C)(C)C(C)(C)C)C(C)OC
InChIInChI=1S/C16H26O2Si/c1-9-11-15(14(2)17-6)12-10-13-18-19(7,8)16(3,4)5/h1,11,14H,13H2,2-8H3/b15-11+
InChIKeyXLNHVKMDDFSFEQ-RVDMUPIBSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[tert-butyl(dimethyl)silyl]oxypent-3-yn-2-ol
CID 59595119
(E)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-6-ynal
CID 10778199
tert-butyl-(2-methoxybut-3-ynoxy)-dimethylsilane
CID 131742760
tert-butyl-dimethyl-(2-methylbut-3-ynoxy)silane
CID 10584128
lithium 3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl-tri(propan-2-yloxy)boranuide
CID 23663481
(E,2S,3R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxyhex-4-en-2-ol
CID 102461539
tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-2,6-diynoxy]silane
CID 14377973
(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol
CID 20848710
tert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane
CID 14320967
tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane
CID 57266578
tert-butyl-dimethyl-[(Z)-pent-2-en-4-ynoxy]silane
CID 135083715
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-4-(1-methoxyethyl)hept-4-en-2,6-diynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-4-(1-methoxyethyl)hept-4-en-2,6-diynoxy]-dimethylsilane (CID 24773156) is tert-butyl-[(E)-4-(1-methoxyethyl)hept-4-en-2,6-diynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-4-(1-methoxyethyl)hept-4-en-2,6-diynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-4-(1-methoxyethyl)hept-4-en-2,6-diynoxy]-dimethylsilane is C#C/C=C(\C#CCO[Si](C)(C)C(C)(C)C)C(C)OC.
What is the InChIKey of tert-butyl-[(E)-4-(1-methoxyethyl)hept-4-en-2,6-diynoxy]-dimethylsilane?
The InChIKey is XLNHVKMDDFSFEQ-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-9-11-15(14(2)17-6)12-10-13-18-19(7,8)16(3,4)5/h1,11,14H,13H2,2-8H3/b15-11+.
What are the key properties of tert-butyl-[(E)-4-(1-methoxyethyl)hept-4-en-2,6-diynoxy]-dimethylsilane?
tert-butyl-[(E)-4-(1-methoxyethyl)hept-4-en-2,6-diynoxy]-dimethylsilane has a molecular weight of 278.47 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-4-(1-methoxyethyl)hept-4-en-2,6-diynoxy]-dimethylsilane is sourced from PubChem (CID 24773156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).