(2S,6Z,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal

C24H41NO2SSi — CID 10274668

IUPAC(2S,6Z,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal
SMILESC/C(=C/C[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/c1csc(C)n1)CCCC(C)C=O
InChIInChI=1S/C24H41NO2SSi/c1-18(11-10-12-19(2)16-26)13-14-23(27-29(8,9)24(5,6)7)20(3)15-22-17-28-21(4)25-22/h13,15-17,19,23H,10-12,14H2,1-9H3/b18-13-,20-15+/t19?,23-/m0/s1
InChIKeyDOVRGDVDVWZEME-JPEKYWFPSA-N
MW435.75 g/mol
LogP7.59
Rot. Bonds11

About (2S,6Z,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal

(2S,6Z,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal (PubChem CID 10274668) has the molecular formula C24H41NO2SSi and a molecular weight of 435.75 g/mol. Its IUPAC name is (2S,6Z,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal.

Molecular Properties

Compound Name(2S,6Z,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal
PubChem CID10274668
Molecular FormulaC24H41NO2SSi
Molecular Weight435.75 g/mol
Exact Mass435.26
IUPAC Name(2S,6Z,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal
SMILESC/C(=C/C[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/c1csc(C)n1)CCCC(C)C=O
InChIInChI=1S/C24H41NO2SSi/c1-18(11-10-12-19(2)16-26)13-14-23(27-29(8,9)24(5,6)7)20(3)15-22-17-28-21(4)25-22/h13,15-17,19,23H,10-12,14H2,1-9H3/b18-13-,20-15+/t19?,23-/m0/s1
InChIKeyDOVRGDVDVWZEME-JPEKYWFPSA-N
XLogP7.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.75
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of (2S,6Z,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal?
The IUPAC name of (2S,6Z,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal (CID 10274668) is (2S,6Z,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal.
What is the SMILES notation for (2S,6Z,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal?
The canonical SMILES for (2S,6Z,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal is C/C(=C/C[C@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/c1csc(C)n1)CCCC(C)C=O.
What is the InChIKey of (2S,6Z,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal?
The InChIKey is DOVRGDVDVWZEME-JPEKYWFPSA-N. The full InChI is InChI=1S/C24H41NO2SSi/c1-18(11-10-12-19(2)16-26)13-14-23(27-29(8,9)24(5,6)7)20(3)15-22-17-28-21(4)25-22/h13,15-17,19,23H,10-12,14H2,1-9H3/b18-13-,20-15+/t19?,23-/m0/s1.
What are the key properties of (2S,6Z,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal?
(2S,6Z,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal has a molecular weight of 435.75 g/mol, XLogP of 7.59, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6Z,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienal is sourced from PubChem (CID 10274668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).