(2R,4E,6E,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylundeca-4,6-dien-1-ol

C20H40O2Si — CID 134887155

IUPAC(2R,4E,6E,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylundeca-4,6-dien-1-ol
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C=C/C[C@@H](C)CO
InChIInChI=1S/C20H40O2Si/c1-10-19(22-23(8,9)20(5,6)7)18(4)14-16(2)12-11-13-17(3)15-21/h11-12,14,17-19,21H,10,13,15H2,1-9H3/b12-11+,16-14+/t17-,18-,19-/m1/s1
InChIKeyOWDFKKPBKAUCCV-BDFTUYLMSA-N
MW340.62 g/mol
LogP5.94
Rot. Bonds9

About (2R,4E,6E,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylundeca-4,6-dien-1-ol

(2R,4E,6E,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylundeca-4,6-dien-1-ol (PubChem CID 134887155) has the molecular formula C20H40O2Si and a molecular weight of 340.62 g/mol. Its IUPAC name is (2R,4E,6E,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylundeca-4,6-dien-1-ol.

Molecular Properties

Compound Name(2R,4E,6E,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylundeca-4,6-dien-1-ol
PubChem CID134887155
Molecular FormulaC20H40O2Si
Molecular Weight340.62 g/mol
Exact Mass340.28
IUPAC Name(2R,4E,6E,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylundeca-4,6-dien-1-ol
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C=C/C[C@@H](C)CO
InChIInChI=1S/C20H40O2Si/c1-10-19(22-23(8,9)20(5,6)7)18(4)14-16(2)12-11-13-17(3)15-21/h11-12,14,17-19,21H,10,13,15H2,1-9H3/b12-11+,16-14+/t17-,18-,19-/m1/s1
InChIKeyOWDFKKPBKAUCCV-BDFTUYLMSA-N
XLogP5.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (2R,4E,6E,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylundeca-4,6-dien-1-ol?
The IUPAC name of (2R,4E,6E,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylundeca-4,6-dien-1-ol (CID 134887155) is (2R,4E,6E,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylundeca-4,6-dien-1-ol.
What is the SMILES notation for (2R,4E,6E,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylundeca-4,6-dien-1-ol?
The canonical SMILES for (2R,4E,6E,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylundeca-4,6-dien-1-ol is CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C=C/C[C@@H](C)CO.
What is the InChIKey of (2R,4E,6E,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylundeca-4,6-dien-1-ol?
The InChIKey is OWDFKKPBKAUCCV-BDFTUYLMSA-N. The full InChI is InChI=1S/C20H40O2Si/c1-10-19(22-23(8,9)20(5,6)7)18(4)14-16(2)12-11-13-17(3)15-21/h11-12,14,17-19,21H,10,13,15H2,1-9H3/b12-11+,16-14+/t17-,18-,19-/m1/s1.
What are the key properties of (2R,4E,6E,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylundeca-4,6-dien-1-ol?
(2R,4E,6E,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylundeca-4,6-dien-1-ol has a molecular weight of 340.62 g/mol, XLogP of 5.94, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4E,6E,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylundeca-4,6-dien-1-ol is sourced from PubChem (CID 134887155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).