(6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal

C21H38O2Si — CID 86743007

IUPAC(6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal
SMILESC=C(C)C(CC/C(C)=C/CCC(C)=CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O2Si/c1-17(2)20(23-24(8,9)21(5,6)7)14-13-18(3)11-10-12-19(4)15-16-22/h11,15-16,20H,1,10,12-14H2,2-9H3/b18-11+,19-15?
InChIKeyPWSADNPFJBJVSF-HWFCXYQPSA-N
MW350.62 g/mol
LogP6.60
Rot. Bonds10

About (6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal

(6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal (PubChem CID 86743007) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is (6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal.

Molecular Properties

Compound Name(6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal
PubChem CID86743007
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Name(6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal
SMILESC=C(C)C(CC/C(C)=C/CCC(C)=CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38O2Si/c1-17(2)20(23-24(8,9)21(5,6)7)14-13-18(3)11-10-12-19(4)15-16-22/h11,15-16,20H,1,10,12-14H2,2-9H3/b18-11+,19-15?
InChIKeyPWSADNPFJBJVSF-HWFCXYQPSA-N
XLogP6.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 56.60
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal 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 (6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal?
The IUPAC name of (6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal (CID 86743007) is (6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal.
What is the SMILES notation for (6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal?
The canonical SMILES for (6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal is C=C(C)C(CC/C(C)=C/CCC(C)=CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal?
The InChIKey is PWSADNPFJBJVSF-HWFCXYQPSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-17(2)20(23-24(8,9)21(5,6)7)14-13-18(3)11-10-12-19(4)15-16-22/h11,15-16,20H,1,10,12-14H2,2-9H3/b18-11+,19-15?.
What are the key properties of (6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal?
(6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal has a molecular weight of 350.62 g/mol, XLogP of 6.60, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal is sourced from PubChem (CID 86743007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).