[(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane

C13H22O2Si — CID 139263636

IUPAC[(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
SMILESC=C[C@@H]1C=C(O[Si](CC)(CC)CC)[C@H]2O[C@@H]12
InChIInChI=1S/C13H22O2Si/c1-5-10-9-11(13-12(10)14-13)15-16(6-2,7-3)8-4/h5,9-10,12-13H,1,6-8H2,2-4H3/t10-,12+,13-/m1/s1
InChIKeyIIJCSAOGKONPPW-KGYLQXTDSA-N
MW238.40 g/mol
LogP3.48
Rot. Bonds6

About [(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane

[(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane (PubChem CID 139263636) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is [(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
PubChem CID139263636
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name[(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
SMILESC=C[C@@H]1C=C(O[Si](CC)(CC)CC)[C@H]2O[C@@H]12
InChIInChI=1S/C13H22O2Si/c1-5-10-9-11(13-12(10)14-13)15-16(6-2,7-3)8-4/h5,9-10,12-13H,1,6-8H2,2-4H3/t10-,12+,13-/m1/s1
InChIKeyIIJCSAOGKONPPW-KGYLQXTDSA-N
XLogP3.48
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.48
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

Tert-butyl-(4-ethenyl-3-fluoro-2-prop-2-enoxycyclopent-2-en-1-yl)oxy-dimethylsilane
CID 173696219
trimethyl-[[(1S,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 134889954
trimethyl-[[(1S,5R,6S)-5-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 135046184
triethyl-[[(1S,4R,5S)-4-methyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy]silane
CID 139263633
[(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
CID 139263634
[(1S,4S,5S)-4-tert-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
CID 139263635
Trimethyl-[(1-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane
CID 12771792
(2S,3S)-1-[hydroxy(dimethyl)silyl]-3-methyl-7-oxabicyclo[4.1.0]hept-4-en-2-ol
CID 60070543
[2-Ethyl-5-(oxiran-2-ylmethoxy)pent-3-enoxy]-dimethoxy-methylsilane
CID 175518206
Tert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane
CID 10015202
tert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane
CID 10515259
tert-butyl-dimethyl-[[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]methoxy]silane
CID 10609428

Frequently Asked Questions

What is the IUPAC name of [(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane?
The IUPAC name of [(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane (CID 139263636) is [(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane.
What is the SMILES notation for [(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane?
The canonical SMILES for [(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane is C=C[C@@H]1C=C(O[Si](CC)(CC)CC)[C@H]2O[C@@H]12.
What is the InChIKey of [(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane?
The InChIKey is IIJCSAOGKONPPW-KGYLQXTDSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-5-10-9-11(13-12(10)14-13)15-16(6-2,7-3)8-4/h5,9-10,12-13H,1,6-8H2,2-4H3/t10-,12+,13-/m1/s1.
What are the key properties of [(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane?
[(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane has a molecular weight of 238.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane is sourced from PubChem (CID 139263636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).