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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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).