(2E,4E,7S,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoic acid

C24H42O3Si — CID 15297449

IUPAC(2E,4E,7S,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoic acid
SMILESCC[C@H](C)CC/C=C/C=C(\C)[C@H](C/C=C/C=C/C(=O)O)O[Si](CC)(CC)CC
InChIInChI=1S/C24H42O3Si/c1-7-21(5)17-13-11-14-18-22(6)23(19-15-12-16-20-24(25)26)27-28(8-2,9-3)10-4/h11-12,14-16,18,20-21,23H,7-10,13,17,19H2,1-6H3,(H,25,26)/b14-11+,15-12+,20-16+,22-18+/t21-,23-/m0/s1
InChIKeyOOADDTILKXZWCN-APWNMUSKSA-N
MW406.68 g/mol
LogP7.29
Rot. Bonds15

About (2E,4E,7S,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoic acid

(2E,4E,7S,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoic acid (PubChem CID 15297449) has the molecular formula C24H42O3Si and a molecular weight of 406.68 g/mol. Its IUPAC name is (2E,4E,7S,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoic acid.

Molecular Properties

Compound Name(2E,4E,7S,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoic acid
PubChem CID15297449
Molecular FormulaC24H42O3Si
Molecular Weight406.68 g/mol
Exact Mass406.29
IUPAC Name(2E,4E,7S,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoic acid
SMILESCC[C@H](C)CC/C=C/C=C(\C)[C@H](C/C=C/C=C/C(=O)O)O[Si](CC)(CC)CC
InChIInChI=1S/C24H42O3Si/c1-7-21(5)17-13-11-14-18-22(6)23(19-15-12-16-20-24(25)26)27-28(8-2,9-3)10-4/h11-12,14-16,18,20-21,23H,7-10,13,17,19H2,1-6H3,(H,25,26)/b14-11+,15-12+,20-16+,22-18+/t21-,23-/m0/s1
InChIKeyOOADDTILKXZWCN-APWNMUSKSA-N
XLogP7.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.68
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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,7S,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoic acid?
The IUPAC name of (2E,4E,7S,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoic acid (CID 15297449) is (2E,4E,7S,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoic acid.
What is the SMILES notation for (2E,4E,7S,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoic acid?
The canonical SMILES for (2E,4E,7S,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoic acid is CC[C@H](C)CC/C=C/C=C(\C)[C@H](C/C=C/C=C/C(=O)O)O[Si](CC)(CC)CC.
What is the InChIKey of (2E,4E,7S,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoic acid?
The InChIKey is OOADDTILKXZWCN-APWNMUSKSA-N. The full InChI is InChI=1S/C24H42O3Si/c1-7-21(5)17-13-11-14-18-22(6)23(19-15-12-16-20-24(25)26)27-28(8-2,9-3)10-4/h11-12,14-16,18,20-21,23H,7-10,13,17,19H2,1-6H3,(H,25,26)/b14-11+,15-12+,20-16+,22-18+/t21-,23-/m0/s1.
What are the key properties of (2E,4E,7S,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoic acid?
(2E,4E,7S,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoic acid has a molecular weight of 406.68 g/mol, XLogP of 7.29, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,7S,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoic acid is sourced from PubChem (CID 15297449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).