6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyundeca-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one

C23H40O4Si — CID 46855803

IUPAC6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyundeca-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCCCCC/C=C/C=C/C(CC1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H40O4Si/c1-9-10-11-12-13-14-15-16-19(27-28(7,8)22(2,3)4)17-20-18-21(24)26-23(5,6)25-20/h13-16,18-19H,9-12,17H2,1-8H3/b14-13+,16-15+
InChIKeyPHYNPCORZVWHHE-ZBMVRHCNSA-N
MW408.66 g/mol
LogP6.65
Rot. Bonds10

About 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyundeca-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one

6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyundeca-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 46855803) has the molecular formula C23H40O4Si and a molecular weight of 408.66 g/mol. Its IUPAC name is 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyundeca-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyundeca-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID46855803
Molecular FormulaC23H40O4Si
Molecular Weight408.66 g/mol
Exact Mass408.27
IUPAC Name6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyundeca-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCCCCC/C=C/C=C/C(CC1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H40O4Si/c1-9-10-11-12-13-14-15-16-19(27-28(7,8)22(2,3)4)17-20-18-21(24)26-23(5,6)25-20/h13-16,18-19H,9-12,17H2,1-8H3/b14-13+,16-15+
InChIKeyPHYNPCORZVWHHE-ZBMVRHCNSA-N
XLogP6.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.66
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyundeca-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyundeca-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 46855803) is 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyundeca-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyundeca-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyundeca-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one is CCCCC/C=C/C=C/C(CC1=CC(=O)OC(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyundeca-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is PHYNPCORZVWHHE-ZBMVRHCNSA-N. The full InChI is InChI=1S/C23H40O4Si/c1-9-10-11-12-13-14-15-16-19(27-28(7,8)22(2,3)4)17-20-18-21(24)26-23(5,6)25-20/h13-16,18-19H,9-12,17H2,1-8H3/b14-13+,16-15+.
What are the key properties of 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyundeca-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyundeca-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 408.66 g/mol, XLogP of 6.65, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3E,5E)-2-[tert-butyl(dimethyl)silyl]oxyundeca-3,5-dienyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 46855803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).