(Z)-3-[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol

C15H30O3Si — CID 14525993

IUPAC(Z)-3-[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O[C@@]1(C)/C=C\CO
InChIInChI=1S/C15H30O3Si/c1-12(11-17-19(6,7)14(2,3)4)13-15(5,18-13)9-8-10-16/h8-9,12-13,16H,10-11H2,1-7H3/b9-8-/t12-,13+,15-/m0/s1
InChIKeyOCLTWIUFVULJQW-RJQMRXGRSA-N
MW286.49 g/mol
LogP3.35
Rot. Bonds6

About (Z)-3-[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol

(Z)-3-[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol (PubChem CID 14525993) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is (Z)-3-[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol
PubChem CID14525993
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name(Z)-3-[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O[C@@]1(C)/C=C\CO
InChIInChI=1S/C15H30O3Si/c1-12(11-17-19(6,7)14(2,3)4)13-15(5,18-13)9-8-10-16/h8-9,12-13,16H,10-11H2,1-7H3/b9-8-/t12-,13+,15-/m0/s1
InChIKeyOCLTWIUFVULJQW-RJQMRXGRSA-N
XLogP3.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,3S)-4-[hydroxy(dimethyl)silyl]-2-methyl-7-oxabicyclo[4.1.0]hept-4-en-3-ol
CID 60070541
(2S,3S)-1-[hydroxy(dimethyl)silyl]-3-methyl-7-oxabicyclo[4.1.0]hept-4-en-2-ol
CID 60070543
(Z)-4-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol
CID 60091594
4-[(2S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol
CID 91163292
tert-butyl-dimethyl-[[(1R,6S)-1-methyl-7-oxabicyclo[4.1.0]hept-4-en-3-yl]oxy]silane
CID 173863159
tert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane
CID 10515259
tert-butyl-[(2R)-2-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
CID 10538154
tert-butyl-[(2R)-2-[(2R,3S)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
CID 10562166
tert-butyl-[(2S)-2-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
CID 10586277
tert-butyl-[(2S)-2-[(2R,3S)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
CID 10657823
(2R)-2-[(2R,3S)-3-methyl-3-[(E)-pent-1-enyl]oxiran-2-yl]propan-1-ol
CID 11298354
tributyl-[[(3R,6S)-1-oxaspiro[2.4]hept-4-en-6-yl]oxy]silane
CID 11758727

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol?
The IUPAC name of (Z)-3-[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol (CID 14525993) is (Z)-3-[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol?
The canonical SMILES for (Z)-3-[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol is C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1O[C@@]1(C)/C=C\CO.
What is the InChIKey of (Z)-3-[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol?
The InChIKey is OCLTWIUFVULJQW-RJQMRXGRSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-12(11-17-19(6,7)14(2,3)4)13-15(5,18-13)9-8-10-16/h8-9,12-13,16H,10-11H2,1-7H3/b9-8-/t12-,13+,15-/m0/s1.
What are the key properties of (Z)-3-[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol?
(Z)-3-[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol has a molecular weight of 286.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 14525993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).