(2S,3R)-2-[(2R,3S)-3-methyloxiran-2-yl]-3-triethylsilyloxypentan-2-ol

C14H30O3Si — CID 25260361

IUPAC(2S,3R)-2-[(2R,3S)-3-methyloxiran-2-yl]-3-triethylsilyloxypentan-2-ol
SMILESCC[C@@H](O[Si](CC)(CC)CC)[C@@](C)(O)[C@@H]1O[C@H]1C
InChIInChI=1S/C14H30O3Si/c1-7-12(14(6,15)13-11(5)16-13)17-18(8-2,9-3)10-4/h11-13,15H,7-10H2,1-6H3/t11-,12+,13+,14+/m0/s1
InChIKeyFGMVGBMYZGKUML-REWJHTLYSA-N
MW274.48 g/mol
LogP3.33
Rot. Bonds8

About (2S,3R)-2-[(2R,3S)-3-methyloxiran-2-yl]-3-triethylsilyloxypentan-2-ol

(2S,3R)-2-[(2R,3S)-3-methyloxiran-2-yl]-3-triethylsilyloxypentan-2-ol (PubChem CID 25260361) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is (2S,3R)-2-[(2R,3S)-3-methyloxiran-2-yl]-3-triethylsilyloxypentan-2-ol.

Molecular Properties

Compound Name(2S,3R)-2-[(2R,3S)-3-methyloxiran-2-yl]-3-triethylsilyloxypentan-2-ol
PubChem CID25260361
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name(2S,3R)-2-[(2R,3S)-3-methyloxiran-2-yl]-3-triethylsilyloxypentan-2-ol
SMILESCC[C@@H](O[Si](CC)(CC)CC)[C@@](C)(O)[C@@H]1O[C@H]1C
InChIInChI=1S/C14H30O3Si/c1-7-12(14(6,15)13-11(5)16-13)17-18(8-2,9-3)10-4/h11-13,15H,7-10H2,1-6H3/t11-,12+,13+,14+/m0/s1
InChIKeyFGMVGBMYZGKUML-REWJHTLYSA-N
XLogP3.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(2R,3S)-3-methyloxiran-2-yl]-3-triethylsilyloxypentan-2-ol?
The IUPAC name of (2S,3R)-2-[(2R,3S)-3-methyloxiran-2-yl]-3-triethylsilyloxypentan-2-ol (CID 25260361) is (2S,3R)-2-[(2R,3S)-3-methyloxiran-2-yl]-3-triethylsilyloxypentan-2-ol.
What is the SMILES notation for (2S,3R)-2-[(2R,3S)-3-methyloxiran-2-yl]-3-triethylsilyloxypentan-2-ol?
The canonical SMILES for (2S,3R)-2-[(2R,3S)-3-methyloxiran-2-yl]-3-triethylsilyloxypentan-2-ol is CC[C@@H](O[Si](CC)(CC)CC)[C@@](C)(O)[C@@H]1O[C@H]1C.
What is the InChIKey of (2S,3R)-2-[(2R,3S)-3-methyloxiran-2-yl]-3-triethylsilyloxypentan-2-ol?
The InChIKey is FGMVGBMYZGKUML-REWJHTLYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-7-12(14(6,15)13-11(5)16-13)17-18(8-2,9-3)10-4/h11-13,15H,7-10H2,1-6H3/t11-,12+,13+,14+/m0/s1.
What are the key properties of (2S,3R)-2-[(2R,3S)-3-methyloxiran-2-yl]-3-triethylsilyloxypentan-2-ol?
(2S,3R)-2-[(2R,3S)-3-methyloxiran-2-yl]-3-triethylsilyloxypentan-2-ol has a molecular weight of 274.48 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(2R,3S)-3-methyloxiran-2-yl]-3-triethylsilyloxypentan-2-ol is sourced from PubChem (CID 25260361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).