(2E,4E,6E,8E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trimethyltrideca-2,4,6,8,10-pentaenal

C22H36O2Si — CID 10689908

IUPAC(2E,4E,6E,8E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trimethyltrideca-2,4,6,8,10-pentaenal
SMILESC/C(C=O)=C\C=C\C=C(C)\C=C\C=C(/C)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H36O2Si/c1-18(13-10-11-14-19(2)17-23)15-12-16-20(3)21(4)24-25(8,9)22(5,6)7/h10-17,21H,1-9H3/b11-10+,15-12+,18-13+,19-14+,20-16+
InChIKeyBTGCZZOGMCRNGB-FMFFAWKOSA-N
MW360.61 g/mol
LogP6.55
Rot. Bonds8

About (2E,4E,6E,8E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trimethyltrideca-2,4,6,8,10-pentaenal

(2E,4E,6E,8E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trimethyltrideca-2,4,6,8,10-pentaenal (PubChem CID 10689908) has the molecular formula C22H36O2Si and a molecular weight of 360.61 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trimethyltrideca-2,4,6,8,10-pentaenal.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trimethyltrideca-2,4,6,8,10-pentaenal
PubChem CID10689908
Molecular FormulaC22H36O2Si
Molecular Weight360.61 g/mol
Exact Mass360.25
IUPAC Name(2E,4E,6E,8E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trimethyltrideca-2,4,6,8,10-pentaenal
SMILESC/C(C=O)=C\C=C\C=C(C)\C=C\C=C(/C)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H36O2Si/c1-18(13-10-11-14-19(2)17-23)15-12-16-20(3)21(4)24-25(8,9)22(5,6)7/h10-17,21H,1-9H3/b11-10+,15-12+,18-13+,19-14+,20-16+
InChIKeyBTGCZZOGMCRNGB-FMFFAWKOSA-N
XLogP6.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.61
LogP ≤ 56.55
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,4E,6E,8E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trimethyltrideca-2,4,6,8,10-pentaenal 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 (2E,4E,6E,8E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trimethyltrideca-2,4,6,8,10-pentaenal?
The IUPAC name of (2E,4E,6E,8E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trimethyltrideca-2,4,6,8,10-pentaenal (CID 10689908) is (2E,4E,6E,8E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trimethyltrideca-2,4,6,8,10-pentaenal.
What is the SMILES notation for (2E,4E,6E,8E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trimethyltrideca-2,4,6,8,10-pentaenal?
The canonical SMILES for (2E,4E,6E,8E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trimethyltrideca-2,4,6,8,10-pentaenal is C/C(C=O)=C\C=C\C=C(C)\C=C\C=C(/C)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,4E,6E,8E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trimethyltrideca-2,4,6,8,10-pentaenal?
The InChIKey is BTGCZZOGMCRNGB-FMFFAWKOSA-N. The full InChI is InChI=1S/C22H36O2Si/c1-18(13-10-11-14-19(2)17-23)15-12-16-20(3)21(4)24-25(8,9)22(5,6)7/h10-17,21H,1-9H3/b11-10+,15-12+,18-13+,19-14+,20-16+.
What are the key properties of (2E,4E,6E,8E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trimethyltrideca-2,4,6,8,10-pentaenal?
(2E,4E,6E,8E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trimethyltrideca-2,4,6,8,10-pentaenal has a molecular weight of 360.61 g/mol, XLogP of 6.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-2,7,11-trimethyltrideca-2,4,6,8,10-pentaenal is sourced from PubChem (CID 10689908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).