(E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-6-ene-2,3-diol

C16H34O3Si — CID 10685808

IUPAC(E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-6-ene-2,3-diol
SMILESC/C(=C\CO[Si](C)(C)C(C)(C)C)CCC(O)C(C)(C)O
InChIInChI=1S/C16H34O3Si/c1-13(9-10-14(17)16(5,6)18)11-12-19-20(7,8)15(2,3)4/h11,14,17-18H,9-10,12H2,1-8H3/b13-11+
InChIKeyLCXKKYRPWWLVQM-ACCUITESSA-N
MW302.53 g/mol
LogP3.87
Rot. Bonds7

About (E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-6-ene-2,3-diol

(E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-6-ene-2,3-diol (PubChem CID 10685808) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is (E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-6-ene-2,3-diol.

Molecular Properties

Compound Name(E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-6-ene-2,3-diol
PubChem CID10685808
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name(E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-6-ene-2,3-diol
SMILESC/C(=C\CO[Si](C)(C)C(C)(C)C)CCC(O)C(C)(C)O
InChIInChI=1S/C16H34O3Si/c1-13(9-10-14(17)16(5,6)18)11-12-19-20(7,8)15(2,3)4/h11,14,17-18H,9-10,12H2,1-8H3/b13-11+
InChIKeyLCXKKYRPWWLVQM-ACCUITESSA-N
XLogP3.87
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 53.87
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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Related Compounds

1-[Tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol
CID 15092897
(2E,6E,10E,14R)-3-(hydroxymethyl)-7,11,15-trimethylhexadeca-2,6,10-triene-1,14,15-triol
CID 162896436
(2Z,6E,10E,14S)-3-(hydroxymethyl)-7,11,15-trimethylhexadeca-2,6,10-triene-1,14,15-triol
CID 162896437
(2E,6E,10E,14S)-3-(hydroxymethyl)-7,11,15-trimethylhexadeca-2,6,10-triene-1,14,15-triol
CID 162896438
(3S,6E,10E,14S)-2,6,10,14-tetramethylhexadeca-6,10,15-triene-2,3,14-triol
CID 163195364
(1S,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylcyclohept-3-ene-1,2-diol
CID 12034957
Squalene-2,3-diol
CID 56845257
2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol
CID 10880626
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806
(1S,2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylcyclohept-3-ene-1,2-diol
CID 11301047
(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11782315
(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
CID 24755010

Frequently Asked Questions

What is the IUPAC name of (E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-6-ene-2,3-diol?
The IUPAC name of (E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-6-ene-2,3-diol (CID 10685808) is (E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-6-ene-2,3-diol.
What is the SMILES notation for (E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-6-ene-2,3-diol?
The canonical SMILES for (E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-6-ene-2,3-diol is C/C(=C\CO[Si](C)(C)C(C)(C)C)CCC(O)C(C)(C)O.
What is the InChIKey of (E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-6-ene-2,3-diol?
The InChIKey is LCXKKYRPWWLVQM-ACCUITESSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-13(9-10-14(17)16(5,6)18)11-12-19-20(7,8)15(2,3)4/h11,14,17-18H,9-10,12H2,1-8H3/b13-11+.
What are the key properties of (E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-6-ene-2,3-diol?
(E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-6-ene-2,3-diol has a molecular weight of 302.53 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyloct-6-ene-2,3-diol is sourced from PubChem (CID 10685808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).