(2E,4E,6S,7R,8S,9S)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-9-triethylsilyloxydeca-2,4-dienal

C24H48O3Si2 — CID 72701905

IUPAC(2E,4E,6S,7R,8S,9S)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-9-triethylsilyloxydeca-2,4-dienal
SMILESCC[Si](CC)(CC)O[C@@H](C)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C=C/C=O
InChIInChI=1S/C24H48O3Si2/c1-12-29(13-2,14-3)26-22(6)21(5)23(20(4)18-16-15-17-19-25)27-28(10,11)24(7,8)9/h15-23H,12-14H2,1-11H3/b17-15+,18-16+/t20-,21-,22-,23+/m0/s1
InChIKeyGUWVYAZWORNYKN-AKYRXYQASA-N
MW440.82 g/mol
LogP7.37
Rot. Bonds13

About (2E,4E,6S,7R,8S,9S)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-9-triethylsilyloxydeca-2,4-dienal

(2E,4E,6S,7R,8S,9S)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-9-triethylsilyloxydeca-2,4-dienal (PubChem CID 72701905) has the molecular formula C24H48O3Si2 and a molecular weight of 440.82 g/mol. Its IUPAC name is (2E,4E,6S,7R,8S,9S)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-9-triethylsilyloxydeca-2,4-dienal.

Molecular Properties

Compound Name(2E,4E,6S,7R,8S,9S)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-9-triethylsilyloxydeca-2,4-dienal
PubChem CID72701905
Molecular FormulaC24H48O3Si2
Molecular Weight440.82 g/mol
Exact Mass440.31
IUPAC Name(2E,4E,6S,7R,8S,9S)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-9-triethylsilyloxydeca-2,4-dienal
SMILESCC[Si](CC)(CC)O[C@@H](C)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C=C/C=O
InChIInChI=1S/C24H48O3Si2/c1-12-29(13-2,14-3)26-22(6)21(5)23(20(4)18-16-15-17-19-25)27-28(10,11)24(7,8)9/h15-23H,12-14H2,1-11H3/b17-15+,18-16+/t20-,21-,22-,23+/m0/s1
InChIKeyGUWVYAZWORNYKN-AKYRXYQASA-N
XLogP7.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.82
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6S,7R,8S,9S)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-9-triethylsilyloxydeca-2,4-dienal?
The IUPAC name of (2E,4E,6S,7R,8S,9S)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-9-triethylsilyloxydeca-2,4-dienal (CID 72701905) is (2E,4E,6S,7R,8S,9S)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-9-triethylsilyloxydeca-2,4-dienal.
What is the SMILES notation for (2E,4E,6S,7R,8S,9S)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-9-triethylsilyloxydeca-2,4-dienal?
The canonical SMILES for (2E,4E,6S,7R,8S,9S)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-9-triethylsilyloxydeca-2,4-dienal is CC[Si](CC)(CC)O[C@@H](C)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C=C/C=O.
What is the InChIKey of (2E,4E,6S,7R,8S,9S)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-9-triethylsilyloxydeca-2,4-dienal?
The InChIKey is GUWVYAZWORNYKN-AKYRXYQASA-N. The full InChI is InChI=1S/C24H48O3Si2/c1-12-29(13-2,14-3)26-22(6)21(5)23(20(4)18-16-15-17-19-25)27-28(10,11)24(7,8)9/h15-23H,12-14H2,1-11H3/b17-15+,18-16+/t20-,21-,22-,23+/m0/s1.
What are the key properties of (2E,4E,6S,7R,8S,9S)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-9-triethylsilyloxydeca-2,4-dienal?
(2E,4E,6S,7R,8S,9S)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-9-triethylsilyloxydeca-2,4-dienal has a molecular weight of 440.82 g/mol, XLogP of 7.37, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6S,7R,8S,9S)-7-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethyl-9-triethylsilyloxydeca-2,4-dienal is sourced from PubChem (CID 72701905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).