(E,2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-ene-2,3-diol

C16H34O3Si — CID 11044872

IUPAC(E,2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-ene-2,3-diol
SMILESC/C=C(\C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](O)[C@H](C)O
InChIInChI=1S/C16H34O3Si/c1-10-11(2)15(12(3)14(18)13(4)17)19-20(8,9)16(5,6)7/h10,12-15,17-18H,1-9H3/b11-10+/t12-,13-,14+,15+/m0/s1
InChIKeyWYLCBOYYLUPZGG-YUVZZMBFSA-N
MW302.53 g/mol
LogP3.72
Rot. Bonds6

About (E,2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-ene-2,3-diol

(E,2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-ene-2,3-diol (PubChem CID 11044872) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is (E,2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-ene-2,3-diol.

Molecular Properties

Compound Name(E,2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-ene-2,3-diol
PubChem CID11044872
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name(E,2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-ene-2,3-diol
SMILESC/C=C(\C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](O)[C@H](C)O
InChIInChI=1S/C16H34O3Si/c1-10-11(2)15(12(3)14(18)13(4)17)19-20(8,9)16(5,6)7/h10,12-15,17-18H,1-9H3/b11-10+/t12-,13-,14+,15+/m0/s1
InChIKeyWYLCBOYYLUPZGG-YUVZZMBFSA-N
XLogP3.72
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 53.72
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'}

Analyze (E,2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-ene-2,3-diol with MolForge

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Launch Full Analysis

Related Compounds

1-[Tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol
CID 15092897
(1S,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylcyclohept-3-ene-1,2-diol
CID 12034957
2-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclohex-3-en-1-yl]propan-2-ol
CID 10880626
(E,2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-6-ene-3,5-diol
CID 11196999
(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
(5S,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-ol
CID 11416545
(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11782315
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-en-1-ol
CID 15088744
(3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol
CID 23726370

Frequently Asked Questions

What is the IUPAC name of (E,2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-ene-2,3-diol?
The IUPAC name of (E,2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-ene-2,3-diol (CID 11044872) is (E,2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-ene-2,3-diol.
What is the SMILES notation for (E,2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-ene-2,3-diol?
The canonical SMILES for (E,2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-ene-2,3-diol is C/C=C(\C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](O)[C@H](C)O.
What is the InChIKey of (E,2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-ene-2,3-diol?
The InChIKey is WYLCBOYYLUPZGG-YUVZZMBFSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-10-11(2)15(12(3)14(18)13(4)17)19-20(8,9)16(5,6)7/h10,12-15,17-18H,1-9H3/b11-10+/t12-,13-,14+,15+/m0/s1.
What are the key properties of (E,2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-ene-2,3-diol?
(E,2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-ene-2,3-diol has a molecular weight of 302.53 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyloct-6-ene-2,3-diol is sourced from PubChem (CID 11044872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).