(2-methyloxiran-2-yl)methyl acetate

C6H10O3 — CID 10103200

IUPAC(2-methyloxiran-2-yl)methyl acetate
SMILESCC(=O)OCC1(C)CO1
InChIInChI=1S/C6H10O3/c1-5(7)8-3-6(2)4-9-6/h3-4H2,1-2H3
InChIKeyVZTHKGPFAFDKCO-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.34
Rot. Bonds2

About (2-methyloxiran-2-yl)methyl acetate

(2-methyloxiran-2-yl)methyl acetate (PubChem CID 10103200) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (2-methyloxiran-2-yl)methyl acetate.

Molecular Properties

Compound Name(2-methyloxiran-2-yl)methyl acetate
PubChem CID10103200
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(2-methyloxiran-2-yl)methyl acetate
SMILESCC(=O)OCC1(C)CO1
InChIInChI=1S/C6H10O3/c1-5(7)8-3-6(2)4-9-6/h3-4H2,1-2H3
InChIKeyVZTHKGPFAFDKCO-UHFFFAOYSA-N
XLogP0.34
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.34
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 (2-methyloxiran-2-yl)methyl acetate?
The IUPAC name of (2-methyloxiran-2-yl)methyl acetate (CID 10103200) is (2-methyloxiran-2-yl)methyl acetate.
What is the SMILES notation for (2-methyloxiran-2-yl)methyl acetate?
The canonical SMILES for (2-methyloxiran-2-yl)methyl acetate is CC(=O)OCC1(C)CO1.
What is the InChIKey of (2-methyloxiran-2-yl)methyl acetate?
The InChIKey is VZTHKGPFAFDKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-5(7)8-3-6(2)4-9-6/h3-4H2,1-2H3.
What are the key properties of (2-methyloxiran-2-yl)methyl acetate?
(2-methyloxiran-2-yl)methyl acetate has a molecular weight of 130.14 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxiran-2-yl)methyl acetate is sourced from PubChem (CID 10103200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).