[(7R)-7-triethylsilyloxyoct-1-en-3-yl] but-3-enoate

C18H34O3Si — CID 57332982

IUPAC[(7R)-7-triethylsilyloxyoct-1-en-3-yl] but-3-enoate
SMILESC=CCC(=O)OC(C=C)CCC[C@@H](C)O[Si](CC)(CC)CC
InChIInChI=1S/C18H34O3Si/c1-7-13-18(19)20-17(8-2)15-12-14-16(6)21-22(9-3,10-4)11-5/h7-8,16-17H,1-2,9-15H2,3-6H3/t16-,17?/m1/s1
InChIKeyPPIZIRQMTSFHDH-TZHYSIJRSA-N
MW326.55 g/mol
LogP5.24
Rot. Bonds13

About [(7R)-7-triethylsilyloxyoct-1-en-3-yl] but-3-enoate

[(7R)-7-triethylsilyloxyoct-1-en-3-yl] but-3-enoate (PubChem CID 57332982) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is [(7R)-7-triethylsilyloxyoct-1-en-3-yl] but-3-enoate.

Molecular Properties

Compound Name[(7R)-7-triethylsilyloxyoct-1-en-3-yl] but-3-enoate
PubChem CID57332982
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Name[(7R)-7-triethylsilyloxyoct-1-en-3-yl] but-3-enoate
SMILESC=CCC(=O)OC(C=C)CCC[C@@H](C)O[Si](CC)(CC)CC
InChIInChI=1S/C18H34O3Si/c1-7-13-18(19)20-17(8-2)15-12-14-16(6)21-22(9-3,10-4)11-5/h7-8,16-17H,1-2,9-15H2,3-6H3/t16-,17?/m1/s1
InChIKeyPPIZIRQMTSFHDH-TZHYSIJRSA-N
XLogP5.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.24
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

[(4R,6R,8S)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-1-en-4-yl] prop-2-enoate
CID 11619466
[(E)-1-triethylsilyldec-1-en-3-yl] acetate
CID 101544369
[(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate
CID 135079804
(S)-8-((tert-butyldimethylsilyl)oxy)oct-1-en-4-yl acrylate
CID 145865225
7-[Tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl acetate
CID 10924155
8-[Tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl acetate
CID 11001086
[(5R)-5-[(3R)-hexa-1,5-dien-3-yl]oxyhept-6-enoxy]-tri(propan-2-yl)silane
CID 11710370
[(2R)-pent-4-en-2-yl] (5R)-5-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
CID 44550187
[(3R,5S,7R,9R)-5,7,9-tris[[tert-butyl(dimethyl)silyl]oxy]hexadec-1-en-3-yl] but-3-enoate
CID 44604461
[(4R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-methoxytridec-1-en-4-yl] prop-2-enoate
CID 53231662
[(4S,6S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-8-methoxyheptadec-1-en-4-yl] prop-2-enoate
CID 71606682
[(1S,4R)-4-acetyloxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-yl] acetate
CID 102065733

Frequently Asked Questions

What is the IUPAC name of [(7R)-7-triethylsilyloxyoct-1-en-3-yl] but-3-enoate?
The IUPAC name of [(7R)-7-triethylsilyloxyoct-1-en-3-yl] but-3-enoate (CID 57332982) is [(7R)-7-triethylsilyloxyoct-1-en-3-yl] but-3-enoate.
What is the SMILES notation for [(7R)-7-triethylsilyloxyoct-1-en-3-yl] but-3-enoate?
The canonical SMILES for [(7R)-7-triethylsilyloxyoct-1-en-3-yl] but-3-enoate is C=CCC(=O)OC(C=C)CCC[C@@H](C)O[Si](CC)(CC)CC.
What is the InChIKey of [(7R)-7-triethylsilyloxyoct-1-en-3-yl] but-3-enoate?
The InChIKey is PPIZIRQMTSFHDH-TZHYSIJRSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-7-13-18(19)20-17(8-2)15-12-14-16(6)21-22(9-3,10-4)11-5/h7-8,16-17H,1-2,9-15H2,3-6H3/t16-,17?/m1/s1.
What are the key properties of [(7R)-7-triethylsilyloxyoct-1-en-3-yl] but-3-enoate?
[(7R)-7-triethylsilyloxyoct-1-en-3-yl] but-3-enoate has a molecular weight of 326.55 g/mol, XLogP of 5.24, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-7-triethylsilyloxyoct-1-en-3-yl] but-3-enoate is sourced from PubChem (CID 57332982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).