(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol

C12H24O3Si — CID 46187581

IUPAC(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CO1
InChIInChI=1S/C12H24O3Si/c1-7-9(11(13)10-8-14-10)15-16(5,6)12(2,3)4/h7,9-11,13H,1,8H2,2-6H3/t9-,10-,11+/m1/s1
InChIKeyNGSSNRNSTFKUFP-MXWKQRLJSA-N
MW244.41 g/mol
LogP2.32
Rot. Bonds5

About (1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol

(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol (PubChem CID 46187581) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
PubChem CID46187581
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CO1
InChIInChI=1S/C12H24O3Si/c1-7-9(11(13)10-8-14-10)15-16(5,6)12(2,3)4/h7,9-11,13H,1,8H2,2-6H3/t9-,10-,11+/m1/s1
InChIKeyNGSSNRNSTFKUFP-MXWKQRLJSA-N
XLogP2.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol?
The IUPAC name of (1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol (CID 46187581) is (1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol.
What is the SMILES notation for (1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol?
The canonical SMILES for (1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CO1.
What is the InChIKey of (1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol?
The InChIKey is NGSSNRNSTFKUFP-MXWKQRLJSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-7-9(11(13)10-8-14-10)15-16(5,6)12(2,3)4/h7,9-11,13H,1,8H2,2-6H3/t9-,10-,11+/m1/s1.
What are the key properties of (1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol?
(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol has a molecular weight of 244.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol is sourced from PubChem (CID 46187581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).