(2S,3R,4E,6E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethylnona-4,6-dienal

C23H46O3Si2 — CID 11224084

IUPAC(2S,3R,4E,6E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethylnona-4,6-dienal
SMILESCC(/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=O)=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O3Si2/c1-19(14-13-17-25-27(9,10)22(3,4)5)15-16-21(20(2)18-24)26-28(11,12)23(6,7)8/h14-16,18,20-21H,13,17H2,1-12H3/b16-15+,19-14+/t20-,21-/m1/s1
InChIKeyGIUFZGRFJJSWAC-HKSWRZQQSA-N
MW426.79 g/mol
LogP7.13
Rot. Bonds10

About (2S,3R,4E,6E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethylnona-4,6-dienal

(2S,3R,4E,6E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethylnona-4,6-dienal (PubChem CID 11224084) has the molecular formula C23H46O3Si2 and a molecular weight of 426.79 g/mol. Its IUPAC name is (2S,3R,4E,6E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethylnona-4,6-dienal.

Molecular Properties

Compound Name(2S,3R,4E,6E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethylnona-4,6-dienal
PubChem CID11224084
Molecular FormulaC23H46O3Si2
Molecular Weight426.79 g/mol
Exact Mass426.30
IUPAC Name(2S,3R,4E,6E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethylnona-4,6-dienal
SMILESCC(/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=O)=C\CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O3Si2/c1-19(14-13-17-25-27(9,10)22(3,4)5)15-16-21(20(2)18-24)26-28(11,12)23(6,7)8/h14-16,18,20-21H,13,17H2,1-12H3/b16-15+,19-14+/t20-,21-/m1/s1
InChIKeyGIUFZGRFJJSWAC-HKSWRZQQSA-N
XLogP7.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.79
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3R,4E,6E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethylnona-4,6-dienal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4E,6E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethylnona-4,6-dienal?
The IUPAC name of (2S,3R,4E,6E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethylnona-4,6-dienal (CID 11224084) is (2S,3R,4E,6E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethylnona-4,6-dienal.
What is the SMILES notation for (2S,3R,4E,6E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethylnona-4,6-dienal?
The canonical SMILES for (2S,3R,4E,6E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethylnona-4,6-dienal is CC(/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=O)=C\CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R,4E,6E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethylnona-4,6-dienal?
The InChIKey is GIUFZGRFJJSWAC-HKSWRZQQSA-N. The full InChI is InChI=1S/C23H46O3Si2/c1-19(14-13-17-25-27(9,10)22(3,4)5)15-16-21(20(2)18-24)26-28(11,12)23(6,7)8/h14-16,18,20-21H,13,17H2,1-12H3/b16-15+,19-14+/t20-,21-/m1/s1.
What are the key properties of (2S,3R,4E,6E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethylnona-4,6-dienal?
(2S,3R,4E,6E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethylnona-4,6-dienal has a molecular weight of 426.79 g/mol, XLogP of 7.13, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4E,6E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethylnona-4,6-dienal is sourced from PubChem (CID 11224084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).