[(2R,3R)-3-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]methanol;(E)-5-tri(propan-2-yl)silylpent-2-en-4-yn-1-ol

C28H52O3Si2 — CID 159467371

IUPAC[(2R,3R)-3-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]methanol;(E)-5-tri(propan-2-yl)silylpent-2-en-4-yn-1-ol
SMILESCC(C)[Si](C#C/C=C/CO)(C(C)C)C(C)C.CC(C)[Si](C#C[C@H]1O[C@@H]1CO)(C(C)C)C(C)C
InChIInChI=1S/C14H26O2Si.C14H26OSi/c1-10(2)17(11(3)4,12(5)6)8-7-13-14(9-15)16-13;1-12(2)16(13(3)4,14(5)6)11-9-7-8-10-15/h10-15H,9H2,1-6H3;7-8,12-15H,10H2,1-6H3/b;8-7+/t13-,14-;/m1./s1
InChIKeyLVIZDYXBSHYEGB-FLRWRBDUSA-N
MW492.89 g/mol
LogP6.72
Rot. Bonds8

About [(2R,3R)-3-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]methanol;(E)-5-tri(propan-2-yl)silylpent-2-en-4-yn-1-ol

[(2R,3R)-3-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]methanol;(E)-5-tri(propan-2-yl)silylpent-2-en-4-yn-1-ol (PubChem CID 159467371) has the molecular formula C28H52O3Si2 and a molecular weight of 492.89 g/mol. Its IUPAC name is [(2R,3R)-3-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]methanol;(E)-5-tri(propan-2-yl)silylpent-2-en-4-yn-1-ol.

Molecular Properties

Compound Name[(2R,3R)-3-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]methanol;(E)-5-tri(propan-2-yl)silylpent-2-en-4-yn-1-ol
PubChem CID159467371
Molecular FormulaC28H52O3Si2
Molecular Weight492.89 g/mol
Exact Mass492.35
IUPAC Name[(2R,3R)-3-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]methanol;(E)-5-tri(propan-2-yl)silylpent-2-en-4-yn-1-ol
SMILESCC(C)[Si](C#C/C=C/CO)(C(C)C)C(C)C.CC(C)[Si](C#C[C@H]1O[C@@H]1CO)(C(C)C)C(C)C
InChIInChI=1S/C14H26O2Si.C14H26OSi/c1-10(2)17(11(3)4,12(5)6)8-7-13-14(9-15)16-13;1-12(2)16(13(3)4,14(5)6)11-9-7-8-10-15/h10-15H,9H2,1-6H3;7-8,12-15H,10H2,1-6H3/b;8-7+/t13-,14-;/m1./s1
InChIKeyLVIZDYXBSHYEGB-FLRWRBDUSA-N
XLogP6.72
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.89
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 90354928
[(2S,3S,4S,5S,6R)-3,4-dimethyl-6-(2-trimethylsilylethynyl)-5-tri(propan-2-yl)silyloxyoxan-2-yl]methanol
CID 90365497
trimethyl-[(Z)-11-tri(propan-2-yl)silylundec-8-en-1,3,10-triynyl]silane
CID 11474191
2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol
CID 54245932
(2S,3S,4R,5R,6S)-2-[(E,3S)-3,10-dihydroxydec-8-en-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162956093
(2R,3R,4S,5S,6R)-2-[(3S)-1,14-dihydroxytetradeca-6,12-dien-8,10-diyn-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162854773
trimethyl-[(Z)-7-methyloct-3-en-1-ynyl]silane
CID 25135560
4-tri(propan-2-yl)silylbut-3-yn-1-ol
CID 10609315
1-[3-(hydroxymethyl)oxiran-2-yl]propan-2-ol
CID 18506451
3-[2-tri(propan-2-yl)silylethynyl]cyclohexan-1-amine
CID 155618830
[(2S,3S)-3-but-3-en-2-yloxiran-2-yl]methanol
CID 5324179
(Z,1S)-1-[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]-7-tri(propan-2-yl)silylhept-4-en-2,6-diyn-1-ol
CID 101347945

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]methanol;(E)-5-tri(propan-2-yl)silylpent-2-en-4-yn-1-ol?
The IUPAC name of [(2R,3R)-3-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]methanol;(E)-5-tri(propan-2-yl)silylpent-2-en-4-yn-1-ol (CID 159467371) is [(2R,3R)-3-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]methanol;(E)-5-tri(propan-2-yl)silylpent-2-en-4-yn-1-ol.
What is the SMILES notation for [(2R,3R)-3-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]methanol;(E)-5-tri(propan-2-yl)silylpent-2-en-4-yn-1-ol?
The canonical SMILES for [(2R,3R)-3-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]methanol;(E)-5-tri(propan-2-yl)silylpent-2-en-4-yn-1-ol is CC(C)[Si](C#C/C=C/CO)(C(C)C)C(C)C.CC(C)[Si](C#C[C@H]1O[C@@H]1CO)(C(C)C)C(C)C.
What is the InChIKey of [(2R,3R)-3-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]methanol;(E)-5-tri(propan-2-yl)silylpent-2-en-4-yn-1-ol?
The InChIKey is LVIZDYXBSHYEGB-FLRWRBDUSA-N. The full InChI is InChI=1S/C14H26O2Si.C14H26OSi/c1-10(2)17(11(3)4,12(5)6)8-7-13-14(9-15)16-13;1-12(2)16(13(3)4,14(5)6)11-9-7-8-10-15/h10-15H,9H2,1-6H3;7-8,12-15H,10H2,1-6H3/b;8-7+/t13-,14-;/m1./s1.
What are the key properties of [(2R,3R)-3-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]methanol;(E)-5-tri(propan-2-yl)silylpent-2-en-4-yn-1-ol?
[(2R,3R)-3-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]methanol;(E)-5-tri(propan-2-yl)silylpent-2-en-4-yn-1-ol has a molecular weight of 492.89 g/mol, XLogP of 6.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]methanol;(E)-5-tri(propan-2-yl)silylpent-2-en-4-yn-1-ol is sourced from PubChem (CID 159467371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).