tributyl-[[(3R,6S)-1-oxaspiro[2.4]hept-4-en-6-yl]oxy]silane

C18H34O2Si — CID 11758727

IUPACtributyl-[[(3R,6S)-1-oxaspiro[2.4]hept-4-en-6-yl]oxy]silane
SMILESCCCC[Si](CCCC)(CCCC)O[C@@H]1C=C[C@@]2(CO2)C1
InChIInChI=1S/C18H34O2Si/c1-4-7-12-21(13-8-5-2,14-9-6-3)20-17-10-11-18(15-17)16-19-18/h10-11,17H,4-9,12-16H2,1-3H3/t17-,18+/m1/s1
InChIKeyYFPUBAQQQYQQNE-MSOLQXFVSA-N
MW310.55 g/mol
LogP5.45
Rot. Bonds11

About tributyl-[[(3R,6S)-1-oxaspiro[2.4]hept-4-en-6-yl]oxy]silane

tributyl-[[(3R,6S)-1-oxaspiro[2.4]hept-4-en-6-yl]oxy]silane (PubChem CID 11758727) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is tributyl-[[(3R,6S)-1-oxaspiro[2.4]hept-4-en-6-yl]oxy]silane.

Molecular Properties

Compound Nametributyl-[[(3R,6S)-1-oxaspiro[2.4]hept-4-en-6-yl]oxy]silane
PubChem CID11758727
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Nametributyl-[[(3R,6S)-1-oxaspiro[2.4]hept-4-en-6-yl]oxy]silane
SMILESCCCC[Si](CCCC)(CCCC)O[C@@H]1C=C[C@@]2(CO2)C1
InChIInChI=1S/C18H34O2Si/c1-4-7-12-21(13-8-5-2,14-9-6-3)20-17-10-11-18(15-17)16-19-18/h10-11,17H,4-9,12-16H2,1-3H3/t17-,18+/m1/s1
InChIKeyYFPUBAQQQYQQNE-MSOLQXFVSA-N
XLogP5.45
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol
CID 14525993
((6E)-2,6-Dimethyl-9-(2-vinyloxiran-2-yl)nona-2,6-dien-1-yl)trimethylsilane
CID 60147462
tert-butyl-dimethyl-[[(6R)-1-oxaspiro[2.5]oct-4-en-6-yl]oxy]silane
CID 101717142
[(2Z,6E)-9-(2-ethenyloxiran-2-yl)-2,6-dimethylnona-2,6-dienyl]-trimethylsilane
CID 102344035
[(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134931804
2,2,4-Trimethyl-3-[2-dimethyl(tert-butyl)silyloxyethyl]-6-ethenyl-5,6-dihydropyrane
CID 554486
tert-butyl-dimethyl-[(1R,4S)-4-[(2-methylpropan-2-yl)oxymethyl]-4-prop-2-ynoxycyclopent-2-en-1-yl]oxysilane
CID 15609449
tert-butyl-dimethyl-[[(1R,6S)-1-methyl-7-oxabicyclo[4.1.0]hept-4-en-3-yl]oxy]silane
CID 173863159
tert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane
CID 10515259
tert-butyl-[(2S)-2-[(2R)-2-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane
CID 11810732
tert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane
CID 101079232
[(2E,6E)-9-(2-ethenyloxiran-2-yl)-2,6-dimethylnona-2,6-dienyl]-trimethylsilane
CID 102344034

Frequently Asked Questions

What is the IUPAC name of tributyl-[[(3R,6S)-1-oxaspiro[2.4]hept-4-en-6-yl]oxy]silane?
The IUPAC name of tributyl-[[(3R,6S)-1-oxaspiro[2.4]hept-4-en-6-yl]oxy]silane (CID 11758727) is tributyl-[[(3R,6S)-1-oxaspiro[2.4]hept-4-en-6-yl]oxy]silane.
What is the SMILES notation for tributyl-[[(3R,6S)-1-oxaspiro[2.4]hept-4-en-6-yl]oxy]silane?
The canonical SMILES for tributyl-[[(3R,6S)-1-oxaspiro[2.4]hept-4-en-6-yl]oxy]silane is CCCC[Si](CCCC)(CCCC)O[C@@H]1C=C[C@@]2(CO2)C1.
What is the InChIKey of tributyl-[[(3R,6S)-1-oxaspiro[2.4]hept-4-en-6-yl]oxy]silane?
The InChIKey is YFPUBAQQQYQQNE-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-4-7-12-21(13-8-5-2,14-9-6-3)20-17-10-11-18(15-17)16-19-18/h10-11,17H,4-9,12-16H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of tributyl-[[(3R,6S)-1-oxaspiro[2.4]hept-4-en-6-yl]oxy]silane?
tributyl-[[(3R,6S)-1-oxaspiro[2.4]hept-4-en-6-yl]oxy]silane has a molecular weight of 310.55 g/mol, XLogP of 5.45, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[[(3R,6S)-1-oxaspiro[2.4]hept-4-en-6-yl]oxy]silane is sourced from PubChem (CID 11758727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).