[(2R,4Z,6R)-6-ethenyl-4-(trimethylsilylmethylidene)oxan-2-yl]methyl butanoate

C16H28O3Si — CID 11415234

IUPAC[(2R,4Z,6R)-6-ethenyl-4-(trimethylsilylmethylidene)oxan-2-yl]methyl butanoate
SMILESC=C[C@H]1C/C(=C/[Si](C)(C)C)C[C@H](COC(=O)CCC)O1
InChIInChI=1S/C16H28O3Si/c1-6-8-16(17)18-11-15-10-13(12-20(3,4)5)9-14(7-2)19-15/h7,12,14-15H,2,6,8-11H2,1,3-5H3/b13-12-/t14-,15+/m0/s1
InChIKeyUDMRVBHDMRQYGF-HWPRQXRUSA-N
MW296.48 g/mol
LogP3.87
Rot. Bonds6

About [(2R,4Z,6R)-6-ethenyl-4-(trimethylsilylmethylidene)oxan-2-yl]methyl butanoate

[(2R,4Z,6R)-6-ethenyl-4-(trimethylsilylmethylidene)oxan-2-yl]methyl butanoate (PubChem CID 11415234) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is [(2R,4Z,6R)-6-ethenyl-4-(trimethylsilylmethylidene)oxan-2-yl]methyl butanoate.

Molecular Properties

Compound Name[(2R,4Z,6R)-6-ethenyl-4-(trimethylsilylmethylidene)oxan-2-yl]methyl butanoate
PubChem CID11415234
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name[(2R,4Z,6R)-6-ethenyl-4-(trimethylsilylmethylidene)oxan-2-yl]methyl butanoate
SMILESC=C[C@H]1C/C(=C/[Si](C)(C)C)C[C@H](COC(=O)CCC)O1
InChIInChI=1S/C16H28O3Si/c1-6-8-16(17)18-11-15-10-13(12-20(3,4)5)9-14(7-2)19-15/h7,12,14-15H,2,6,8-11H2,1,3-5H3/b13-12-/t14-,15+/m0/s1
InChIKeyUDMRVBHDMRQYGF-HWPRQXRUSA-N
XLogP3.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.87
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'}

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Related Compounds

[(2R)-4-oxooxetan-2-yl]methyl butanoate
CID 131862213
[3-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl butanoate
CID 23256152
oxetan-2-ylmethyl butanoate
CID 150335397
[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate
CID 118169205
(5-butanoyloxyoxolan-2-yl)methyl butanoate
CID 144971535
[(2R,3R,4R)-3,4,5-tri(butanoyloxy)oxolan-2-yl]methyl butanoate
CID 130188370
[(2R,3S,4S,5R,6R)-3,4,5,6-tetra(butanoyloxy)oxan-2-yl]methyl butanoate
CID 3079328
[(2R,3S,4S,5R,6S)-3,4,5-tri(butanoyloxy)-6-methoxyoxan-2-yl]methyl butanoate
CID 146662906
[(2R,3S,4R,6S)-3-butanoyloxy-4,6-dihydroxyoxan-2-yl]methyl butanoate
CID 86272045
[(2S,5S)-5-(iodomethyl)oxolan-2-yl]methyl pentanoate
CID 118183523
(7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl butanoate
CID 57204573
bis[butanoyloxy-[6-(butanoyloxymethyl)oxan-2-yl]methyl] (E)-but-2-enedioate
CID 175361713

Frequently Asked Questions

What is the IUPAC name of [(2R,4Z,6R)-6-ethenyl-4-(trimethylsilylmethylidene)oxan-2-yl]methyl butanoate?
The IUPAC name of [(2R,4Z,6R)-6-ethenyl-4-(trimethylsilylmethylidene)oxan-2-yl]methyl butanoate (CID 11415234) is [(2R,4Z,6R)-6-ethenyl-4-(trimethylsilylmethylidene)oxan-2-yl]methyl butanoate.
What is the SMILES notation for [(2R,4Z,6R)-6-ethenyl-4-(trimethylsilylmethylidene)oxan-2-yl]methyl butanoate?
The canonical SMILES for [(2R,4Z,6R)-6-ethenyl-4-(trimethylsilylmethylidene)oxan-2-yl]methyl butanoate is C=C[C@H]1C/C(=C/[Si](C)(C)C)C[C@H](COC(=O)CCC)O1.
What is the InChIKey of [(2R,4Z,6R)-6-ethenyl-4-(trimethylsilylmethylidene)oxan-2-yl]methyl butanoate?
The InChIKey is UDMRVBHDMRQYGF-HWPRQXRUSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-6-8-16(17)18-11-15-10-13(12-20(3,4)5)9-14(7-2)19-15/h7,12,14-15H,2,6,8-11H2,1,3-5H3/b13-12-/t14-,15+/m0/s1.
What are the key properties of [(2R,4Z,6R)-6-ethenyl-4-(trimethylsilylmethylidene)oxan-2-yl]methyl butanoate?
[(2R,4Z,6R)-6-ethenyl-4-(trimethylsilylmethylidene)oxan-2-yl]methyl butanoate has a molecular weight of 296.48 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4Z,6R)-6-ethenyl-4-(trimethylsilylmethylidene)oxan-2-yl]methyl butanoate is sourced from PubChem (CID 11415234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).