[(Z,2R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-3-en-2-yl] acetate

C17H34O3Si — CID 11666804

IUPAC[(Z,2R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-3-en-2-yl] acetate
SMILESCC(=O)O[C@H](C)/C=C\CCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-14(19-16(3)18)12-10-9-11-13-15(2)20-21(7,8)17(4,5)6/h10,12,14-15H,9,11,13H2,1-8H3/b12-10-/t14-,15+/m1/s1
InChIKeyZCSQAJGFEAVAIF-JXRSSESESA-N
MW314.54 g/mol
LogP5.07
Rot. Bonds8

About [(Z,2R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-3-en-2-yl] acetate

[(Z,2R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-3-en-2-yl] acetate (PubChem CID 11666804) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is [(Z,2R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(Z,2R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-3-en-2-yl] acetate
PubChem CID11666804
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name[(Z,2R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-3-en-2-yl] acetate
SMILESCC(=O)O[C@H](C)/C=C\CCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-14(19-16(3)18)12-10-9-11-13-15(2)20-21(7,8)17(4,5)6/h10,12,14-15H,9,11,13H2,1-8H3/b12-10-/t14-,15+/m1/s1
InChIKeyZCSQAJGFEAVAIF-JXRSSESESA-N
XLogP5.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 13821292
[(2Z,4E,8Z)-1-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-6-yl] acetate
CID 134946270
[(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dienyl] acetate
CID 134971110
(1r,4s)-4-{[Tert-butyl(dimethyl)silyl]oxy}-2-cyclopenten-1-yl acetate
CID 10956197
(1S,4R)-1-Acetoxy-4-(tert-butyldimethylsilanyloxy)-2-cyclohexene
CID 10978542
tert-butyl (2E,4E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylnona-2,4-dienoate
CID 11824407
(E)-tert-Butyl 11-(tert-butyldimethylsilyloxy)-2-undecenoate
CID 24859311
[(E)-7-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-enyl] acetate
CID 58918255
ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate
CID 5468979
[(E)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylhept-3-en-2-yl] acetate
CID 10859995
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-6-one
CID 11107972
ethyl (E,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enoate
CID 11197810

Frequently Asked Questions

What is the IUPAC name of [(Z,2R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-3-en-2-yl] acetate?
The IUPAC name of [(Z,2R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-3-en-2-yl] acetate (CID 11666804) is [(Z,2R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-3-en-2-yl] acetate.
What is the SMILES notation for [(Z,2R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-3-en-2-yl] acetate?
The canonical SMILES for [(Z,2R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-3-en-2-yl] acetate is CC(=O)O[C@H](C)/C=C\CCC[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(Z,2R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-3-en-2-yl] acetate?
The InChIKey is ZCSQAJGFEAVAIF-JXRSSESESA-N. The full InChI is InChI=1S/C17H34O3Si/c1-14(19-16(3)18)12-10-9-11-13-15(2)20-21(7,8)17(4,5)6/h10,12,14-15H,9,11,13H2,1-8H3/b12-10-/t14-,15+/m1/s1.
What are the key properties of [(Z,2R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-3-en-2-yl] acetate?
[(Z,2R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-3-en-2-yl] acetate has a molecular weight of 314.54 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-3-en-2-yl] acetate is sourced from PubChem (CID 11666804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).