[(E)-1-[(2S,6S)-6-hexyloxan-2-yl]oxyprop-1-en-2-yl]-trimethylsilane

C17H34O2Si — CID 177483375

IUPAC[(E)-1-[(2S,6S)-6-hexyloxan-2-yl]oxyprop-1-en-2-yl]-trimethylsilane
SMILESCCCCCC[C@H]1CCC[C@H](O/C=C(\C)[Si](C)(C)C)O1
InChIInChI=1S/C17H34O2Si/c1-6-7-8-9-11-16-12-10-13-17(19-16)18-14-15(2)20(3,4)5/h14,16-17H,6-13H2,1-5H3/b15-14+/t16-,17+/m0/s1
InChIKeyACJDARXEATXFJG-WEEZADPSSA-N
MW298.54 g/mol
LogP5.65
Rot. Bonds8

About [(E)-1-[(2S,6S)-6-hexyloxan-2-yl]oxyprop-1-en-2-yl]-trimethylsilane

[(E)-1-[(2S,6S)-6-hexyloxan-2-yl]oxyprop-1-en-2-yl]-trimethylsilane (PubChem CID 177483375) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is [(E)-1-[(2S,6S)-6-hexyloxan-2-yl]oxyprop-1-en-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-[(2S,6S)-6-hexyloxan-2-yl]oxyprop-1-en-2-yl]-trimethylsilane
PubChem CID177483375
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name[(E)-1-[(2S,6S)-6-hexyloxan-2-yl]oxyprop-1-en-2-yl]-trimethylsilane
SMILESCCCCCC[C@H]1CCC[C@H](O/C=C(\C)[Si](C)(C)C)O1
InChIInChI=1S/C17H34O2Si/c1-6-7-8-9-11-16-12-10-13-17(19-16)18-14-15(2)20(3,4)5/h14,16-17H,6-13H2,1-5H3/b15-14+/t16-,17+/m0/s1
InChIKeyACJDARXEATXFJG-WEEZADPSSA-N
XLogP5.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2R,6S)-2-hex-1-en-2-yloxy-6-hexyloxane
CID 10778341
(2S,6R)-2-(1-cyclohexylethenoxy)-6-hexyloxane
CID 101197919
(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
methyl 4-(6-heptadecyloxan-2-yl)butanoate
CID 543638
(2R,3S,7S)-7-hexyl-2-methoxy-3-methyloxepane
CID 101186418
[(2S,5R)-5-decyloxolan-2-yl]methanol
CID 42627830
(2R,6R)-6-butyloxan-2-ol
CID 130757753
[(2S,5R)-5-heptadecyloxolan-2-yl]methanol
CID 57189033
(5-heptyloxolan-2-yl)methanol
CID 11820121
1-cyclohexyl-2-[(2R,6R)-6-hexyloxan-2-yl]ethanone
CID 101197924
2-methyl-5-octadecyloxolane
CID 167511066
2-tetradecyloxolane
CID 10683364

Frequently Asked Questions

What is the IUPAC name of [(E)-1-[(2S,6S)-6-hexyloxan-2-yl]oxyprop-1-en-2-yl]-trimethylsilane?
The IUPAC name of [(E)-1-[(2S,6S)-6-hexyloxan-2-yl]oxyprop-1-en-2-yl]-trimethylsilane (CID 177483375) is [(E)-1-[(2S,6S)-6-hexyloxan-2-yl]oxyprop-1-en-2-yl]-trimethylsilane.
What is the SMILES notation for [(E)-1-[(2S,6S)-6-hexyloxan-2-yl]oxyprop-1-en-2-yl]-trimethylsilane?
The canonical SMILES for [(E)-1-[(2S,6S)-6-hexyloxan-2-yl]oxyprop-1-en-2-yl]-trimethylsilane is CCCCCC[C@H]1CCC[C@H](O/C=C(\C)[Si](C)(C)C)O1.
What is the InChIKey of [(E)-1-[(2S,6S)-6-hexyloxan-2-yl]oxyprop-1-en-2-yl]-trimethylsilane?
The InChIKey is ACJDARXEATXFJG-WEEZADPSSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-6-7-8-9-11-16-12-10-13-17(19-16)18-14-15(2)20(3,4)5/h14,16-17H,6-13H2,1-5H3/b15-14+/t16-,17+/m0/s1.
What are the key properties of [(E)-1-[(2S,6S)-6-hexyloxan-2-yl]oxyprop-1-en-2-yl]-trimethylsilane?
[(E)-1-[(2S,6S)-6-hexyloxan-2-yl]oxyprop-1-en-2-yl]-trimethylsilane has a molecular weight of 298.54 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[(2S,6S)-6-hexyloxan-2-yl]oxyprop-1-en-2-yl]-trimethylsilane is sourced from PubChem (CID 177483375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).