[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-[(2S,3S)-2-[(2S,3R)-3-ethenyloxiran-2-yl]-1,4-dioxaspiro[4.5]decan-3-yl]methoxy]-triethylsilane

C27H46O6Si — CID 178184628

IUPAC[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-[(2S,3S)-2-[(2S,3R)-3-ethenyloxiran-2-yl]-1,4-dioxaspiro[4.5]decan-3-yl]methoxy]-triethylsilane
SMILESC=C[C@H]1O[C@@H]1[C@@H]1OC2(CCCCC2)O[C@@H]1[C@@H](O[Si](CC)(CC)CC)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C27H46O6Si/c1-5-20-22(29-20)24-25(32-27(31-24)17-13-10-14-18-27)23(33-34(6-2,7-3)8-4)21-19-28-26(30-21)15-11-9-12-16-26/h5,20-25H,1,6-19H2,2-4H3/t20-,21-,22+,23+,24+,25-/m1/s1
InChIKeyGACVESNZIHAZJS-RWNMKMRESA-N
MW494.75 g/mol
LogP5.85
Rot. Bonds9

About [(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-[(2S,3S)-2-[(2S,3R)-3-ethenyloxiran-2-yl]-1,4-dioxaspiro[4.5]decan-3-yl]methoxy]-triethylsilane

[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-[(2S,3S)-2-[(2S,3R)-3-ethenyloxiran-2-yl]-1,4-dioxaspiro[4.5]decan-3-yl]methoxy]-triethylsilane (PubChem CID 178184628) has the molecular formula C27H46O6Si and a molecular weight of 494.75 g/mol. Its IUPAC name is [(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-[(2S,3S)-2-[(2S,3R)-3-ethenyloxiran-2-yl]-1,4-dioxaspiro[4.5]decan-3-yl]methoxy]-triethylsilane.

Molecular Properties

Compound Name[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-[(2S,3S)-2-[(2S,3R)-3-ethenyloxiran-2-yl]-1,4-dioxaspiro[4.5]decan-3-yl]methoxy]-triethylsilane
PubChem CID178184628
Molecular FormulaC27H46O6Si
Molecular Weight494.75 g/mol
Exact Mass494.31
IUPAC Name[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-[(2S,3S)-2-[(2S,3R)-3-ethenyloxiran-2-yl]-1,4-dioxaspiro[4.5]decan-3-yl]methoxy]-triethylsilane
SMILESC=C[C@H]1O[C@@H]1[C@@H]1OC2(CCCCC2)O[C@@H]1[C@@H](O[Si](CC)(CC)CC)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C27H46O6Si/c1-5-20-22(29-20)24-25(32-27(31-24)17-13-10-14-18-27)23(33-34(6-2,7-3)8-4)21-19-28-26(30-21)15-11-9-12-16-26/h5,20-25H,1,6-19H2,2-4H3/t20-,21-,22+,23+,24+,25-/m1/s1
InChIKeyGACVESNZIHAZJS-RWNMKMRESA-N
XLogP5.85
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.75
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze [(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-[(2S,3S)-2-[(2S,3R)-3-ethenyloxiran-2-yl]-1,4-dioxaspiro[4.5]decan-3-yl]methoxy]-triethylsilane with MolForge

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Related Compounds

tert-butyl-[(1S)-1-[(2S,5R)-5-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]ethoxy]-dimethylsilane
CID 164671267
ethyl (E)-3-[(2R,3S)-3-[(2S,3S)-3-[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxiran-2-yl]prop-2-enoate
CID 164674989
ethyl (E)-3-[(2R,3S)-3-[(2S,3S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-triethylsilyloxymethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxiran-2-yl]prop-2-enoate
CID 173835882
tert-butyl-[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoxy]-dimethylsilane
CID 10918474
tert-butyl-[2-[(4S,5S)-5-[2-[(2R,3R)-3-[(E)-dec-1-enyl]oxiran-2-yl]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 11730362

Frequently Asked Questions

What is the IUPAC name of [(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-[(2S,3S)-2-[(2S,3R)-3-ethenyloxiran-2-yl]-1,4-dioxaspiro[4.5]decan-3-yl]methoxy]-triethylsilane?
The IUPAC name of [(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-[(2S,3S)-2-[(2S,3R)-3-ethenyloxiran-2-yl]-1,4-dioxaspiro[4.5]decan-3-yl]methoxy]-triethylsilane (CID 178184628) is [(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-[(2S,3S)-2-[(2S,3R)-3-ethenyloxiran-2-yl]-1,4-dioxaspiro[4.5]decan-3-yl]methoxy]-triethylsilane.
What is the SMILES notation for [(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-[(2S,3S)-2-[(2S,3R)-3-ethenyloxiran-2-yl]-1,4-dioxaspiro[4.5]decan-3-yl]methoxy]-triethylsilane?
The canonical SMILES for [(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-[(2S,3S)-2-[(2S,3R)-3-ethenyloxiran-2-yl]-1,4-dioxaspiro[4.5]decan-3-yl]methoxy]-triethylsilane is C=C[C@H]1O[C@@H]1[C@@H]1OC2(CCCCC2)O[C@@H]1[C@@H](O[Si](CC)(CC)CC)[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of [(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-[(2S,3S)-2-[(2S,3R)-3-ethenyloxiran-2-yl]-1,4-dioxaspiro[4.5]decan-3-yl]methoxy]-triethylsilane?
The InChIKey is GACVESNZIHAZJS-RWNMKMRESA-N. The full InChI is InChI=1S/C27H46O6Si/c1-5-20-22(29-20)24-25(32-27(31-24)17-13-10-14-18-27)23(33-34(6-2,7-3)8-4)21-19-28-26(30-21)15-11-9-12-16-26/h5,20-25H,1,6-19H2,2-4H3/t20-,21-,22+,23+,24+,25-/m1/s1.
What are the key properties of [(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-[(2S,3S)-2-[(2S,3R)-3-ethenyloxiran-2-yl]-1,4-dioxaspiro[4.5]decan-3-yl]methoxy]-triethylsilane?
[(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-[(2S,3S)-2-[(2S,3R)-3-ethenyloxiran-2-yl]-1,4-dioxaspiro[4.5]decan-3-yl]methoxy]-triethylsilane has a molecular weight of 494.75 g/mol, XLogP of 5.85, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-[(2S,3S)-2-[(2S,3R)-3-ethenyloxiran-2-yl]-1,4-dioxaspiro[4.5]decan-3-yl]methoxy]-triethylsilane is sourced from PubChem (CID 178184628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).