methyl (Z,7S)-7,8-bis(triethylsilyloxy)oct-4-enoate

C21H44O4Si2 — CID 89060403

IUPACmethyl (Z,7S)-7,8-bis(triethylsilyloxy)oct-4-enoate
SMILESCC[Si](CC)(CC)OC[C@H](C/C=C\CCC(=O)OC)O[Si](CC)(CC)CC
InChIInChI=1S/C21H44O4Si2/c1-8-26(9-2,10-3)24-19-20(25-27(11-4,12-5)13-6)17-15-14-16-18-21(22)23-7/h14-15,20H,8-13,16-19H2,1-7H3/b15-14-/t20-/m0/s1
InChIKeyBUNBDMCPJIJPCP-KYFVDPIZSA-N
MW416.75 g/mol
LogP6.30
Rot. Bonds16

About methyl (Z,7S)-7,8-bis(triethylsilyloxy)oct-4-enoate

methyl (Z,7S)-7,8-bis(triethylsilyloxy)oct-4-enoate (PubChem CID 89060403) has the molecular formula C21H44O4Si2 and a molecular weight of 416.75 g/mol. Its IUPAC name is methyl (Z,7S)-7,8-bis(triethylsilyloxy)oct-4-enoate.

Molecular Properties

Compound Namemethyl (Z,7S)-7,8-bis(triethylsilyloxy)oct-4-enoate
PubChem CID89060403
Molecular FormulaC21H44O4Si2
Molecular Weight416.75 g/mol
Exact Mass416.28
IUPAC Namemethyl (Z,7S)-7,8-bis(triethylsilyloxy)oct-4-enoate
SMILESCC[Si](CC)(CC)OC[C@H](C/C=C\CCC(=O)OC)O[Si](CC)(CC)CC
InChIInChI=1S/C21H44O4Si2/c1-8-26(9-2,10-3)24-19-20(25-27(11-4,12-5)13-6)17-15-14-16-18-21(22)23-7/h14-15,20H,8-13,16-19H2,1-7H3/b15-14-/t20-/m0/s1
InChIKeyBUNBDMCPJIJPCP-KYFVDPIZSA-N
XLogP6.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.75
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Z,Z,Z-11,12,20-Trihydroxyeicosa-5,8,4-trienoic acid, methyl ester, tris(trimethylsilyl) ether
CID 91696675
Z,Z,Z-14,15,19-Trihydroxyeicosa-5,8,14-trienoic acid, methyl ester, tris (trimethylsilyl) ether
CID 91696952
Z,Z,Z-8,9-Dihydroxyeicosa-5,11,14-trienoic acid, metyl ester, bis(trimethylsilyl) ether
CID 91738906
methyl (4Z,7S,8E,15E,17S,19Z)-7,17-bis[[tert-butyl(dimethyl)silyl]oxy]docosa-4,8,15,19-tetraen-10,13-diynoate
CID 59372892
Methyl 7,17-bis[[tert-butyl(dimethyl)silyl]oxy]docosa-4,8,15,19-tetraen-10,13-diynoate
CID 72273536
methyl (4E,8E,15E,19E)-7,17-bis[[tert-butyl(dimethyl)silyl]oxy]docosa-4,8,15,19-tetraen-10,13-diynoate
CID 87513090
methyl (7S,17S)-7,17-bis[[tert-butyl(dimethyl)silyl]oxy]docosa-4,8,15,19-tetraen-10,13-diynoate
CID 91583051
but-3-enoxy(trimethyl)silane;(Z)-hept-4-en-2-one;methyl (Z)-6-oxohept-3-enoate;(Z)-7-trimethylsilyloxyhept-4-en-2-one
CID 157505393
methyl (4Z,7Z,10S,11E,13E,15E,17S,19Z)-10,17-bis[[tert-butyl(dimethyl)silyl]oxy]docosa-4,7,11,13,15,19-hexaenoate
CID 175900421
(5Z,8Z,11Z,14Z)-2-[[Tris(1-methylethyl)silyl]oxy]-5,8,11,14-eicosatetraenoic Acid 1-[[[Tris(1-methyl
CID 10974466
[(Z,2S,3S)-3-methyl-1-tri(propan-2-yl)silyloxyhex-4-en-2-yl] propanoate
CID 11002399
methyl (4Z,7Z,10Z,13Z,15S)-15-[tert-butyl(dimethyl)silyl]oxyhexadeca-4,7,10,13-tetraenoate
CID 11246348

Frequently Asked Questions

What is the IUPAC name of methyl (Z,7S)-7,8-bis(triethylsilyloxy)oct-4-enoate?
The IUPAC name of methyl (Z,7S)-7,8-bis(triethylsilyloxy)oct-4-enoate (CID 89060403) is methyl (Z,7S)-7,8-bis(triethylsilyloxy)oct-4-enoate.
What is the SMILES notation for methyl (Z,7S)-7,8-bis(triethylsilyloxy)oct-4-enoate?
The canonical SMILES for methyl (Z,7S)-7,8-bis(triethylsilyloxy)oct-4-enoate is CC[Si](CC)(CC)OC[C@H](C/C=C\CCC(=O)OC)O[Si](CC)(CC)CC.
What is the InChIKey of methyl (Z,7S)-7,8-bis(triethylsilyloxy)oct-4-enoate?
The InChIKey is BUNBDMCPJIJPCP-KYFVDPIZSA-N. The full InChI is InChI=1S/C21H44O4Si2/c1-8-26(9-2,10-3)24-19-20(25-27(11-4,12-5)13-6)17-15-14-16-18-21(22)23-7/h14-15,20H,8-13,16-19H2,1-7H3/b15-14-/t20-/m0/s1.
What are the key properties of methyl (Z,7S)-7,8-bis(triethylsilyloxy)oct-4-enoate?
methyl (Z,7S)-7,8-bis(triethylsilyloxy)oct-4-enoate has a molecular weight of 416.75 g/mol, XLogP of 6.30, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,7S)-7,8-bis(triethylsilyloxy)oct-4-enoate is sourced from PubChem (CID 89060403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).