(2E,8E,10E)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyldodeca-2,8,10-trien-4-ol

C19H36O2Si — CID 10592098

IUPAC(2E,8E,10E)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyldodeca-2,8,10-trien-4-ol
SMILESC/C=C/C=C/CC(C)CC(O)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O2Si/c1-8-9-10-11-13-17(2)16-18(20)14-12-15-21-22(6,7)19(3,4)5/h8-12,14,17-18,20H,13,15-16H2,1-7H3/b9-8+,11-10+,14-12+
InChIKeyYCJTVCUCXCSFOY-TVYNXUAPSA-N
MW324.58 g/mol
LogP5.47
Rot. Bonds9

About (2E,8E,10E)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyldodeca-2,8,10-trien-4-ol

(2E,8E,10E)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyldodeca-2,8,10-trien-4-ol (PubChem CID 10592098) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is (2E,8E,10E)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyldodeca-2,8,10-trien-4-ol.

Molecular Properties

Compound Name(2E,8E,10E)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyldodeca-2,8,10-trien-4-ol
PubChem CID10592098
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Name(2E,8E,10E)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyldodeca-2,8,10-trien-4-ol
SMILESC/C=C/C=C/CC(C)CC(O)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O2Si/c1-8-9-10-11-13-17(2)16-18(20)14-12-15-21-22(6,7)19(3,4)5/h8-12,14,17-18,20H,13,15-16H2,1-7H3/b9-8+,11-10+,14-12+
InChIKeyYCJTVCUCXCSFOY-TVYNXUAPSA-N
XLogP5.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.47
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,8E,10E)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyldodeca-2,8,10-trien-4-ol?
The IUPAC name of (2E,8E,10E)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyldodeca-2,8,10-trien-4-ol (CID 10592098) is (2E,8E,10E)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyldodeca-2,8,10-trien-4-ol.
What is the SMILES notation for (2E,8E,10E)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyldodeca-2,8,10-trien-4-ol?
The canonical SMILES for (2E,8E,10E)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyldodeca-2,8,10-trien-4-ol is C/C=C/C=C/CC(C)CC(O)/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,8E,10E)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyldodeca-2,8,10-trien-4-ol?
The InChIKey is YCJTVCUCXCSFOY-TVYNXUAPSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-8-9-10-11-13-17(2)16-18(20)14-12-15-21-22(6,7)19(3,4)5/h8-12,14,17-18,20H,13,15-16H2,1-7H3/b9-8+,11-10+,14-12+.
What are the key properties of (2E,8E,10E)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyldodeca-2,8,10-trien-4-ol?
(2E,8E,10E)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyldodeca-2,8,10-trien-4-ol has a molecular weight of 324.58 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,8E,10E)-1-[tert-butyl(dimethyl)silyl]oxy-6-methyldodeca-2,8,10-trien-4-ol is sourced from PubChem (CID 10592098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).