(E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal

C25H52O6Si2 — CID 175557684

IUPAC(E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal
SMILESCOCOC(C=O)C(C)/C=C(\C)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C25H52O6Si2/c1-19(21(16-26)29-18-27-9)15-20(2)23(31-33(13,14)25(6,7)8)22(28-10)17-30-32(11,12)24(3,4)5/h15-16,19,21-23H,17-18H2,1-14H3/b20-15+
InChIKeyNOBZQOBUZKPQPI-HMMYKYKNSA-N
MW504.86 g/mol
LogP6.18
Rot. Bonds14

About (E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal

(E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal (PubChem CID 175557684) has the molecular formula C25H52O6Si2 and a molecular weight of 504.86 g/mol. Its IUPAC name is (E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal.

Molecular Properties

Compound Name(E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal
PubChem CID175557684
Molecular FormulaC25H52O6Si2
Molecular Weight504.86 g/mol
Exact Mass504.33
IUPAC Name(E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal
SMILESCOCOC(C=O)C(C)/C=C(\C)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C25H52O6Si2/c1-19(21(16-26)29-18-27-9)15-20(2)23(31-33(13,14)25(6,7)8)22(28-10)17-30-32(11,12)24(3,4)5/h15-16,19,21-23H,17-18H2,1-14H3/b20-15+
InChIKeyNOBZQOBUZKPQPI-HMMYKYKNSA-N
XLogP6.18
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.86
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal?
The IUPAC name of (E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal (CID 175557684) is (E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal.
What is the SMILES notation for (E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal?
The canonical SMILES for (E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal is COCOC(C=O)C(C)/C=C(\C)C(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of (E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal?
The InChIKey is NOBZQOBUZKPQPI-HMMYKYKNSA-N. The full InChI is InChI=1S/C25H52O6Si2/c1-19(21(16-26)29-18-27-9)15-20(2)23(31-33(13,14)25(6,7)8)22(28-10)17-30-32(11,12)24(3,4)5/h15-16,19,21-23H,17-18H2,1-14H3/b20-15+.
What are the key properties of (E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal?
(E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal has a molecular weight of 504.86 g/mol, XLogP of 6.18, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methoxy-2-(methoxymethoxy)-3,5-dimethyloct-4-enal is sourced from PubChem (CID 175557684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).