(2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dien-1-ol

C17H34O2Si — CID 11500377

IUPAC(2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dien-1-ol
SMILESC/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(\C)CO
InChIInChI=1S/C17H34O2Si/c1-10-14(3)16(15(4)11-13(2)12-18)19-20(8,9)17(5,6)7/h10-11,15-16,18H,12H2,1-9H3/b13-11+,14-10+/t15-,16+/m1/s1
InChIKeyFWFISFARECCSCK-BXTMBTEBSA-N
MW298.54 g/mol
LogP4.92
Rot. Bonds6

About (2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dien-1-ol

(2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dien-1-ol (PubChem CID 11500377) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dien-1-ol
PubChem CID11500377
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dien-1-ol
SMILESC/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(\C)CO
InChIInChI=1S/C17H34O2Si/c1-10-14(3)16(15(4)11-13(2)12-18)19-20(8,9)17(5,6)7/h10-11,15-16,18H,12H2,1-9H3/b13-11+,14-10+/t15-,16+/m1/s1
InChIKeyFWFISFARECCSCK-BXTMBTEBSA-N
XLogP4.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 54.92
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 (2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dien-1-ol?
The IUPAC name of (2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dien-1-ol (CID 11500377) is (2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dien-1-ol.
What is the SMILES notation for (2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dien-1-ol?
The canonical SMILES for (2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dien-1-ol is C/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(\C)CO.
What is the InChIKey of (2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dien-1-ol?
The InChIKey is FWFISFARECCSCK-BXTMBTEBSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-10-14(3)16(15(4)11-13(2)12-18)19-20(8,9)17(5,6)7/h10-11,15-16,18H,12H2,1-9H3/b13-11+,14-10+/t15-,16+/m1/s1.
What are the key properties of (2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dien-1-ol?
(2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dien-1-ol has a molecular weight of 298.54 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dien-1-ol is sourced from PubChem (CID 11500377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).