[(2S,3S)-3-[2-[(2S,3S)-3-ethyl-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol

C11H20O3 — CID 134942519

IUPAC[(2S,3S)-3-[2-[(2S,3S)-3-ethyl-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol
SMILESCC[C@]1(C)O[C@H]1CC[C@@H]1O[C@@]1(C)CO
InChIInChI=1S/C11H20O3/c1-4-10(2)8(13-10)5-6-9-11(3,7-12)14-9/h8-9,12H,4-7H2,1-3H3/t8-,9-,10-,11-/m0/s1
InChIKeyITRPIXGNUBOBGI-NAKRPEOUSA-N
MW200.28 g/mol
LogP1.48
Rot. Bonds5

About [(2S,3S)-3-[2-[(2S,3S)-3-ethyl-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol

[(2S,3S)-3-[2-[(2S,3S)-3-ethyl-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol (PubChem CID 134942519) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is [(2S,3S)-3-[2-[(2S,3S)-3-ethyl-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-[2-[(2S,3S)-3-ethyl-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol
PubChem CID134942519
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name[(2S,3S)-3-[2-[(2S,3S)-3-ethyl-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol
SMILESCC[C@]1(C)O[C@H]1CC[C@@H]1O[C@@]1(C)CO
InChIInChI=1S/C11H20O3/c1-4-10(2)8(13-10)5-6-9-11(3,7-12)14-9/h8-9,12H,4-7H2,1-3H3/t8-,9-,10-,11-/m0/s1
InChIKeyITRPIXGNUBOBGI-NAKRPEOUSA-N
XLogP1.48
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-[2-[(2S,3S)-3-ethyl-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-[2-[(2S,3S)-3-ethyl-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol (CID 134942519) is [(2S,3S)-3-[2-[(2S,3S)-3-ethyl-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-[2-[(2S,3S)-3-ethyl-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-[2-[(2S,3S)-3-ethyl-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol is CC[C@]1(C)O[C@H]1CC[C@@H]1O[C@@]1(C)CO.
What is the InChIKey of [(2S,3S)-3-[2-[(2S,3S)-3-ethyl-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol?
The InChIKey is ITRPIXGNUBOBGI-NAKRPEOUSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-10(2)8(13-10)5-6-9-11(3,7-12)14-9/h8-9,12H,4-7H2,1-3H3/t8-,9-,10-,11-/m0/s1.
What are the key properties of [(2S,3S)-3-[2-[(2S,3S)-3-ethyl-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol?
[(2S,3S)-3-[2-[(2S,3S)-3-ethyl-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol has a molecular weight of 200.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-[2-[(2S,3S)-3-ethyl-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]methanol is sourced from PubChem (CID 134942519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).