(2E,4Z,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraen-6-ol

C20H36O2Si — CID 139252510

IUPAC(2E,4Z,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraen-6-ol
SMILESCC/C=C\C/C=C\C[C@H](O)/C=C\C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O2Si/c1-7-8-9-10-11-13-16-19(21)17-14-12-15-18-22-23(5,6)20(2,3)4/h8-9,11-15,17,19,21H,7,10,16,18H2,1-6H3/b9-8-,13-11-,15-12+,17-14-/t19-/m0/s1
InChIKeyXLZNQHMWNZWNHG-KDOQMJLOSA-N
MW336.59 g/mol
LogP5.78
Rot. Bonds10

About (2E,4Z,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraen-6-ol

(2E,4Z,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraen-6-ol (PubChem CID 139252510) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is (2E,4Z,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraen-6-ol.

Molecular Properties

Compound Name(2E,4Z,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraen-6-ol
PubChem CID139252510
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Name(2E,4Z,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraen-6-ol
SMILESCC/C=C\C/C=C\C[C@H](O)/C=C\C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O2Si/c1-7-8-9-10-11-13-16-19(21)17-14-12-15-18-22-23(5,6)20(2,3)4/h8-9,11-15,17,19,21H,7,10,16,18H2,1-6H3/b9-8-,13-11-,15-12+,17-14-/t19-/m0/s1
InChIKeyXLZNQHMWNZWNHG-KDOQMJLOSA-N
XLogP5.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraen-6-ol?
The IUPAC name of (2E,4Z,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraen-6-ol (CID 139252510) is (2E,4Z,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraen-6-ol.
What is the SMILES notation for (2E,4Z,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraen-6-ol?
The canonical SMILES for (2E,4Z,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraen-6-ol is CC/C=C\C/C=C\C[C@H](O)/C=C\C=C\CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,4Z,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraen-6-ol?
The InChIKey is XLZNQHMWNZWNHG-KDOQMJLOSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-7-8-9-10-11-13-16-19(21)17-14-12-15-18-22-23(5,6)20(2,3)4/h8-9,11-15,17,19,21H,7,10,16,18H2,1-6H3/b9-8-,13-11-,15-12+,17-14-/t19-/m0/s1.
What are the key properties of (2E,4Z,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraen-6-ol?
(2E,4Z,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraen-6-ol has a molecular weight of 336.59 g/mol, XLogP of 5.78, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,4,8,11-tetraen-6-ol is sourced from PubChem (CID 139252510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).