(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol

C21H40O3Si — CID 11440071

IUPAC(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol
SMILESCC(C)=CCC/C(C)=C/CC(O)/C(=C/CO[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C21H40O3Si/c1-17(2)10-9-11-18(3)12-13-20(23)19(16-22)14-15-24-25(7,8)21(4,5)6/h10,12,14,20,22-23H,9,11,13,15-16H2,1-8H3/b18-12+,19-14+
InChIKeyLMSSOUOXRFDRGE-IJNKXORISA-N
MW368.63 g/mol
LogP5.37
Rot. Bonds10

About (2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol

(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol (PubChem CID 11440071) has the molecular formula C21H40O3Si and a molecular weight of 368.63 g/mol. Its IUPAC name is (2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol.

Molecular Properties

Compound Name(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol
PubChem CID11440071
Molecular FormulaC21H40O3Si
Molecular Weight368.63 g/mol
Exact Mass368.27
IUPAC Name(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol
SMILESCC(C)=CCC/C(C)=C/CC(O)/C(=C/CO[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C21H40O3Si/c1-17(2)10-9-11-18(3)12-13-20(23)19(16-22)14-15-24-25(7,8)21(4,5)6/h10,12,14,20,22-23H,9,11,13,15-16H2,1-8H3/b18-12+,19-14+
InChIKeyLMSSOUOXRFDRGE-IJNKXORISA-N
XLogP5.37
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.63
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol?
The IUPAC name of (2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol (CID 11440071) is (2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol.
What is the SMILES notation for (2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol?
The canonical SMILES for (2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol is CC(C)=CCC/C(C)=C/CC(O)/C(=C/CO[Si](C)(C)C(C)(C)C)CO.
What is the InChIKey of (2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol?
The InChIKey is LMSSOUOXRFDRGE-IJNKXORISA-N. The full InChI is InChI=1S/C21H40O3Si/c1-17(2)10-9-11-18(3)12-13-20(23)19(16-22)14-15-24-25(7,8)21(4,5)6/h10,12,14,20,22-23H,9,11,13,15-16H2,1-8H3/b18-12+,19-14+.
What are the key properties of (2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol?
(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol has a molecular weight of 368.63 g/mol, XLogP of 5.37, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol is sourced from PubChem (CID 11440071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).