(2Z,5E)-2-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dien-1-ol

C26H48O2Si — CID 10669838

IUPAC(2Z,5E)-2-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dien-1-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(=C/CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C26H48O2Si/c1-22(2)13-10-14-23(3)15-11-17-25(21-27)18-12-16-24(4)19-20-28-29(8,9)26(5,6)7/h13,15,18-19,27H,10-12,14,16-17,20-21H2,1-9H3/b23-15+,24-19+,25-18-
InChIKeyCMPJNZQCOLZUIJ-UZADUACUSA-N
MW420.75 g/mol
LogP8.13
Rot. Bonds13

About (2Z,5E)-2-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dien-1-ol

(2Z,5E)-2-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dien-1-ol (PubChem CID 10669838) has the molecular formula C26H48O2Si and a molecular weight of 420.75 g/mol. Its IUPAC name is (2Z,5E)-2-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dien-1-ol.

Molecular Properties

Compound Name(2Z,5E)-2-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dien-1-ol
PubChem CID10669838
Molecular FormulaC26H48O2Si
Molecular Weight420.75 g/mol
Exact Mass420.34
IUPAC Name(2Z,5E)-2-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dien-1-ol
SMILESCC(C)=CCC/C(C)=C/CC/C(=C/CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)CO
InChIInChI=1S/C26H48O2Si/c1-22(2)13-10-14-23(3)15-11-17-25(21-27)18-12-16-24(4)19-20-28-29(8,9)26(5,6)7/h13,15,18-19,27H,10-12,14,16-17,20-21H2,1-9H3/b23-15+,24-19+,25-18-
InChIKeyCMPJNZQCOLZUIJ-UZADUACUSA-N
XLogP8.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.75
LogP ≤ 58.13
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'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-2-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dien-1-ol?
The IUPAC name of (2Z,5E)-2-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dien-1-ol (CID 10669838) is (2Z,5E)-2-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dien-1-ol.
What is the SMILES notation for (2Z,5E)-2-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dien-1-ol?
The canonical SMILES for (2Z,5E)-2-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dien-1-ol is CC(C)=CCC/C(C)=C/CC/C(=C/CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)CO.
What is the InChIKey of (2Z,5E)-2-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dien-1-ol?
The InChIKey is CMPJNZQCOLZUIJ-UZADUACUSA-N. The full InChI is InChI=1S/C26H48O2Si/c1-22(2)13-10-14-23(3)15-11-17-25(21-27)18-12-16-24(4)19-20-28-29(8,9)26(5,6)7/h13,15,18-19,27H,10-12,14,16-17,20-21H2,1-9H3/b23-15+,24-19+,25-18-.
What are the key properties of (2Z,5E)-2-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dien-1-ol?
(2Z,5E)-2-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dien-1-ol has a molecular weight of 420.75 g/mol, XLogP of 8.13, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-2-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-enylidene]-6,10-dimethylundeca-5,9-dien-1-ol is sourced from PubChem (CID 10669838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).