bis[(2R,3S)-3-methyloxiran-2-yl]methanone

C7H10O3 — CID 11804851

IUPACbis[(2R,3S)-3-methyloxiran-2-yl]methanone
SMILESC[C@@H]1O[C@H]1C(=O)[C@@H]1O[C@H]1C
InChIInChI=1S/C7H10O3/c1-3-6(9-3)5(8)7-4(2)10-7/h3-4,6-7H,1-2H3/t3-,4-,6+,7+/m0/s1
InChIKeyXHZRZLKQPYDVFT-VEVTUDRCSA-N
MW142.15 g/mol
LogP0.13
Rot. Bonds2

About bis[(2R,3S)-3-methyloxiran-2-yl]methanone

bis[(2R,3S)-3-methyloxiran-2-yl]methanone (PubChem CID 11804851) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is bis[(2R,3S)-3-methyloxiran-2-yl]methanone.

Molecular Properties

Compound Namebis[(2R,3S)-3-methyloxiran-2-yl]methanone
PubChem CID11804851
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namebis[(2R,3S)-3-methyloxiran-2-yl]methanone
SMILESC[C@@H]1O[C@H]1C(=O)[C@@H]1O[C@H]1C
InChIInChI=1S/C7H10O3/c1-3-6(9-3)5(8)7-4(2)10-7/h3-4,6-7H,1-2H3/t3-,4-,6+,7+/m0/s1
InChIKeyXHZRZLKQPYDVFT-VEVTUDRCSA-N
XLogP0.13
TPSA42.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.13
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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Related Compounds

sodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid
CID 175249214
1-[(2S,3R)-3-methyloxiran-2-yl]propan-1-one
CID 15197386
[(2S,3R)-3-methyloxirane-2-carbonyl]phosphonic acid
CID 10487243
N,3-dimethyloxirane-2-carboxamide;ethene
CID 159367774
(2S,3S)-2-methyl-3-[1-[(2S,3S)-3-methyloxiran-2-yl]ethenyl]oxirane
CID 11126341
(2S,3S)-N,N-diethyl-3-methyloxirane-2-carboxamide
CID 45084480
1-(3-methyloxiran-2-yl)but-3-en-1-one
CID 45120318
N-methoxy-N,3-dimethyloxirane-2-carboxamide
CID 71435783
4-methyloxetane-2,3-dicarboxylic acid
CID 89315137
2-tert-butyl-5-methyl-1,3-dioxolane-4-carboxylic acid
CID 582907
2,4-dimethyloxetane-3-carboxylic acid
CID 168766151
(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
CID 54302978

Frequently Asked Questions

What is the IUPAC name of bis[(2R,3S)-3-methyloxiran-2-yl]methanone?
The IUPAC name of bis[(2R,3S)-3-methyloxiran-2-yl]methanone (CID 11804851) is bis[(2R,3S)-3-methyloxiran-2-yl]methanone.
What is the SMILES notation for bis[(2R,3S)-3-methyloxiran-2-yl]methanone?
The canonical SMILES for bis[(2R,3S)-3-methyloxiran-2-yl]methanone is C[C@@H]1O[C@H]1C(=O)[C@@H]1O[C@H]1C.
What is the InChIKey of bis[(2R,3S)-3-methyloxiran-2-yl]methanone?
The InChIKey is XHZRZLKQPYDVFT-VEVTUDRCSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-6(9-3)5(8)7-4(2)10-7/h3-4,6-7H,1-2H3/t3-,4-,6+,7+/m0/s1.
What are the key properties of bis[(2R,3S)-3-methyloxiran-2-yl]methanone?
bis[(2R,3S)-3-methyloxiran-2-yl]methanone has a molecular weight of 142.15 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2R,3S)-3-methyloxiran-2-yl]methanone is sourced from PubChem (CID 11804851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).