(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-yn-1-ol

C17H34O2Si2 — CID 10860401

IUPAC(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H](CC#C[Si](C)(C)C)C/C=C/CO
InChIInChI=1S/C17H34O2Si2/c1-17(2,3)21(7,8)19-16(12-9-10-14-18)13-11-15-20(4,5)6/h9-10,16,18H,12-14H2,1-8H3/b10-9+/t16-/m0/s1
InChIKeyGBOHRAFYJAZWQU-SCOAYWHSSA-N
MW326.63 g/mol
LogP4.59
Rot. Bonds6

About (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-yn-1-ol

(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-yn-1-ol (PubChem CID 10860401) has the molecular formula C17H34O2Si2 and a molecular weight of 326.63 g/mol. Its IUPAC name is (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-yn-1-ol.

Molecular Properties

Compound Name(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-yn-1-ol
PubChem CID10860401
Molecular FormulaC17H34O2Si2
Molecular Weight326.63 g/mol
Exact Mass326.21
IUPAC Name(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)O[C@H](CC#C[Si](C)(C)C)C/C=C/CO
InChIInChI=1S/C17H34O2Si2/c1-17(2,3)21(7,8)19-16(12-9-10-14-18)13-11-15-20(4,5)6/h9-10,16,18H,12-14H2,1-8H3/b10-9+/t16-/m0/s1
InChIKeyGBOHRAFYJAZWQU-SCOAYWHSSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 54.59
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': 'triple_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylsilylhept-1-en-6-yn-3-ol
CID 57389170
(2Z,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-2,6-dien-1-ol
CID 134950412
(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 11098093
(E,3R,4R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-1-tri(propan-2-yl)silyloct-5-en-1-yn-4-ol
CID 11633537
(E,3R,4S)-3-methyl-1-tri(propan-2-yl)silyldec-5-en-1-yn-4-ol
CID 11674197
(E,3R,4R,7R)-8-[tert-butyl(dimethyl)silyl]oxy-3,5,7-trimethyl-1-tri(propan-2-yl)silyloct-5-en-1-yn-4-ol
CID 11698150
(E,4R)-8-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-1-trimethylsilyloct-5-en-1-yn-4-ol
CID 25146570
(2R,3S,4E,6R,7S,8Z)-3,5,7-trimethyl-2-triethylsilyloxydodeca-4,8-dien-10-yn-6-ol
CID 49836104
5-[Tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-ynoic acid
CID 90947732
(E,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-en-1-ol
CID 101778807
(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methyl-8-triethylsilyloxyundeca-1,5-dien-4-ol
CID 102174700
(2E,6S,8Z,11Z)-1-[tert-butyl(dimethyl)silyl]oxytetradeca-2,8,11-trien-4-yn-6-ol
CID 102518304

Frequently Asked Questions

What is the IUPAC name of (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-yn-1-ol?
The IUPAC name of (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-yn-1-ol (CID 10860401) is (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-yn-1-ol.
What is the SMILES notation for (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-yn-1-ol?
The canonical SMILES for (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-yn-1-ol is CC(C)(C)[Si](C)(C)O[C@H](CC#C[Si](C)(C)C)C/C=C/CO.
What is the InChIKey of (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-yn-1-ol?
The InChIKey is GBOHRAFYJAZWQU-SCOAYWHSSA-N. The full InChI is InChI=1S/C17H34O2Si2/c1-17(2,3)21(7,8)19-16(12-9-10-14-18)13-11-15-20(4,5)6/h9-10,16,18H,12-14H2,1-8H3/b10-9+/t16-/m0/s1.
What are the key properties of (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-yn-1-ol?
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-yn-1-ol has a molecular weight of 326.63 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-2-en-7-yn-1-ol is sourced from PubChem (CID 10860401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).