(2E,4R,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-2,6,8-trienal

C20H36O2Si — CID 166445404

IUPAC(2E,4R,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-2,6,8-trienal
SMILESCC/C=C(C)/C=C/[C@@H](O[Si](CC)(CC)CC)[C@H](C)/C(C)=C/C=O
InChIInChI=1S/C20H36O2Si/c1-8-12-17(5)13-14-20(19(7)18(6)15-16-21)22-23(9-2,10-3)11-4/h12-16,19-20H,8-11H2,1-7H3/b14-13+,17-12+,18-15+/t19-,20-/m1/s1
InChIKeyUSWWBZGHCNRROQ-ARNDUCJVSA-N
MW336.59 g/mol
LogP6.07
Rot. Bonds11

About (2E,4R,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-2,6,8-trienal

(2E,4R,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-2,6,8-trienal (PubChem CID 166445404) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is (2E,4R,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-2,6,8-trienal.

Molecular Properties

Compound Name(2E,4R,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-2,6,8-trienal
PubChem CID166445404
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Name(2E,4R,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-2,6,8-trienal
SMILESCC/C=C(C)/C=C/[C@@H](O[Si](CC)(CC)CC)[C@H](C)/C(C)=C/C=O
InChIInChI=1S/C20H36O2Si/c1-8-12-17(5)13-14-20(19(7)18(6)15-16-21)22-23(9-2,10-3)11-4/h12-16,19-20H,8-11H2,1-7H3/b14-13+,17-12+,18-15+/t19-,20-/m1/s1
InChIKeyUSWWBZGHCNRROQ-ARNDUCJVSA-N
XLogP6.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze (2E,4R,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-2,6,8-trienal with MolForge

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Launch Full Analysis

Related Compounds

(2E,4E,6E,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylundeca-2,4,6-trienal
CID 11370282
(2E,5R,6E,8E)-9-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-methylnona-2,6,8-trienal
CID 11559526
(2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dienal
CID 11572961
(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylundeca-2,8,10-trienal
CID 24886641
(2E,4E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-9-trimethylsilylnona-2,4,8-trienal
CID 101333011
(2E,4E,6E,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-2,4,6,10-tetraenal
CID 132607456
(2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnona-2,4-dienal
CID 134865845
(2E,4S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethylundeca-2,8,10-trienal
CID 134949903
(2E,4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-2,4,6,10-tetraenal
CID 134979332
(2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxyundeca-2,8,10-trienal
CID 135015019
(2Z,4R,5R,6E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylnona-2,6-dienal
CID 135036509
(2E,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3,4,6-trimethylnona-2,4-dienal
CID 138970956

Frequently Asked Questions

What is the IUPAC name of (2E,4R,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-2,6,8-trienal?
The IUPAC name of (2E,4R,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-2,6,8-trienal (CID 166445404) is (2E,4R,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-2,6,8-trienal.
What is the SMILES notation for (2E,4R,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-2,6,8-trienal?
The canonical SMILES for (2E,4R,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-2,6,8-trienal is CC/C=C(C)/C=C/[C@@H](O[Si](CC)(CC)CC)[C@H](C)/C(C)=C/C=O.
What is the InChIKey of (2E,4R,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-2,6,8-trienal?
The InChIKey is USWWBZGHCNRROQ-ARNDUCJVSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-8-12-17(5)13-14-20(19(7)18(6)15-16-21)22-23(9-2,10-3)11-4/h12-16,19-20H,8-11H2,1-7H3/b14-13+,17-12+,18-15+/t19-,20-/m1/s1.
What are the key properties of (2E,4R,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-2,6,8-trienal?
(2E,4R,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-2,6,8-trienal has a molecular weight of 336.59 g/mol, XLogP of 6.07, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4R,5R,6E,8E)-3,4,8-trimethyl-5-triethylsilyloxyundeca-2,6,8-trienal is sourced from PubChem (CID 166445404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).