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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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).