[(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-dimethyl-prop-2-enylsilane

C16H28O3Si — CID 11415233

IUPAC[(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-dimethyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C)O[C@H]1CC[C@H]2OCCC[C@@H]2O[C@@H]1C=C
InChIInChI=1S/C16H28O3Si/c1-5-12-20(3,4)19-16-10-9-14-15(8-7-11-17-14)18-13(16)6-2/h5-6,13-16H,1-2,7-12H2,3-4H3/t13-,14-,15+,16+/m1/s1
InChIKeyXJNFEANVJSNELI-WCVJEAGWSA-N
MW296.48 g/mol
LogP3.68
Rot. Bonds5

About [(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-dimethyl-prop-2-enylsilane

[(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-dimethyl-prop-2-enylsilane (PubChem CID 11415233) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is [(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-dimethyl-prop-2-enylsilane.

Molecular Properties

Compound Name[(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-dimethyl-prop-2-enylsilane
PubChem CID11415233
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name[(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-dimethyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C)O[C@H]1CC[C@H]2OCCC[C@@H]2O[C@@H]1C=C
InChIInChI=1S/C16H28O3Si/c1-5-12-20(3,4)19-16-10-9-14-15(8-7-11-17-14)18-13(16)6-2/h5-6,13-16H,1-2,7-12H2,3-4H3/t13-,14-,15+,16+/m1/s1
InChIKeyXJNFEANVJSNELI-WCVJEAGWSA-N
XLogP3.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-dimethyl-prop-2-enylsilane with MolForge

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Related Compounds

tert-butyl-[(2R,3R,6R)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane
CID 24808853
tert-butyl-[(2R,3R,6S)-2-dodecyl-6-ethenyloxan-3-yl]oxy-dimethylsilane
CID 101545939
tert-butyl-[(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-yl]oxy-dimethylsilane
CID 134842406
[(2R,3S)-2-but-3-enyloxepan-3-yl]oxy-tert-butyl-dimethylsilane
CID 9971146
[(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-tert-butyl-dimethylsilane
CID 10380828
tert-butyl-[(2R,3S)-2-ethenyloxepan-3-yl]oxy-dimethylsilane
CID 10858107
Tert-butyl-[6-(methoxymethyl)-2-prop-2-enyloxan-3-yl]oxy-dimethylsilane
CID 57928140
[(2R,4aR,6R,9aS)-2-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-6-yl]methoxy-tert-butyl-dimethylsilane
CID 10359041
[(1S,3R,6S,7R,9S,12R,14S,15R)-15-[dimethyl(prop-2-enyl)silyl]oxy-7,14-bis(ethenyl)-2,8,13-trioxatricyclo[10.5.0.03,9]heptadecan-6-yl]oxy-dimethyl-prop-2-enylsilane
CID 11409825
(1R,3S,8R,11S)-13,13-dimethyl-2,7,12-trioxa-13-silatricyclo[9.5.0.03,8]hexadec-15-ene
CID 11448573
[(2R,3S,4aR,9aS)-3-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,6,9,9a-hexahydro-2H-pyrano[3,2-b]oxepin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 16120441
(4aS,6R,7S,9aR)-6-ethenyl-7-prop-2-enoxy-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepine
CID 21669788

Frequently Asked Questions

What is the IUPAC name of [(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-dimethyl-prop-2-enylsilane?
The IUPAC name of [(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-dimethyl-prop-2-enylsilane (CID 11415233) is [(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-dimethyl-prop-2-enylsilane.
What is the SMILES notation for [(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-dimethyl-prop-2-enylsilane?
The canonical SMILES for [(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-dimethyl-prop-2-enylsilane is C=CC[Si](C)(C)O[C@H]1CC[C@H]2OCCC[C@@H]2O[C@@H]1C=C.
What is the InChIKey of [(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-dimethyl-prop-2-enylsilane?
The InChIKey is XJNFEANVJSNELI-WCVJEAGWSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-5-12-20(3,4)19-16-10-9-14-15(8-7-11-17-14)18-13(16)6-2/h5-6,13-16H,1-2,7-12H2,3-4H3/t13-,14-,15+,16+/m1/s1.
What are the key properties of [(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-dimethyl-prop-2-enylsilane?
[(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-dimethyl-prop-2-enylsilane has a molecular weight of 296.48 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-dimethyl-prop-2-enylsilane is sourced from PubChem (CID 11415233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).