(2S,3R)-2-methyl-3-[2-[(2S,3R)-3-[2-[(2S,3R)-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane

C12H20O3 — CID 134864024

IUPAC(2S,3R)-2-methyl-3-[2-[(2S,3R)-3-[2-[(2S,3R)-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane
SMILESC[C@@H]1O[C@@H]1CC[C@@H]1O[C@@H]1CC[C@@H]1O[C@@H]1C
InChIInChI=1S/C12H20O3/c1-7-9(13-7)3-5-11-12(15-11)6-4-10-8(2)14-10/h7-12H,3-6H2,1-2H3/t7-,8+,9+,10-,11-,12+
InChIKeyIZVYLVJLTXDYDX-KUDAMMAASA-N
MW212.29 g/mol
LogP1.89
Rot. Bonds6

About (2S,3R)-2-methyl-3-[2-[(2S,3R)-3-[2-[(2S,3R)-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane

(2S,3R)-2-methyl-3-[2-[(2S,3R)-3-[2-[(2S,3R)-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane (PubChem CID 134864024) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2S,3R)-2-methyl-3-[2-[(2S,3R)-3-[2-[(2S,3R)-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane.

Molecular Properties

Compound Name(2S,3R)-2-methyl-3-[2-[(2S,3R)-3-[2-[(2S,3R)-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane
PubChem CID134864024
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(2S,3R)-2-methyl-3-[2-[(2S,3R)-3-[2-[(2S,3R)-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane
SMILESC[C@@H]1O[C@@H]1CC[C@@H]1O[C@@H]1CC[C@@H]1O[C@@H]1C
InChIInChI=1S/C12H20O3/c1-7-9(13-7)3-5-11-12(15-11)6-4-10-8(2)14-10/h7-12H,3-6H2,1-2H3/t7-,8+,9+,10-,11-,12+
InChIKeyIZVYLVJLTXDYDX-KUDAMMAASA-N
XLogP1.89
TPSA37.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
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,3R)-2-methyl-3-[2-[(2S,3R)-3-[2-[(2S,3R)-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane?
The IUPAC name of (2S,3R)-2-methyl-3-[2-[(2S,3R)-3-[2-[(2S,3R)-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane (CID 134864024) is (2S,3R)-2-methyl-3-[2-[(2S,3R)-3-[2-[(2S,3R)-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane.
What is the SMILES notation for (2S,3R)-2-methyl-3-[2-[(2S,3R)-3-[2-[(2S,3R)-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane?
The canonical SMILES for (2S,3R)-2-methyl-3-[2-[(2S,3R)-3-[2-[(2S,3R)-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane is C[C@@H]1O[C@@H]1CC[C@@H]1O[C@@H]1CC[C@@H]1O[C@@H]1C.
What is the InChIKey of (2S,3R)-2-methyl-3-[2-[(2S,3R)-3-[2-[(2S,3R)-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane?
The InChIKey is IZVYLVJLTXDYDX-KUDAMMAASA-N. The full InChI is InChI=1S/C12H20O3/c1-7-9(13-7)3-5-11-12(15-11)6-4-10-8(2)14-10/h7-12H,3-6H2,1-2H3/t7-,8+,9+,10-,11-,12+.
What are the key properties of (2S,3R)-2-methyl-3-[2-[(2S,3R)-3-[2-[(2S,3R)-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane?
(2S,3R)-2-methyl-3-[2-[(2S,3R)-3-[2-[(2S,3R)-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane has a molecular weight of 212.29 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-3-[2-[(2S,3R)-3-[2-[(2S,3R)-3-methyloxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane is sourced from PubChem (CID 134864024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).