(2-ethyloxiran-2-yl)methyl 2-methylidenebutanoate

C10H16O3 — CID 15389868

IUPAC(2-ethyloxiran-2-yl)methyl 2-methylidenebutanoate
SMILESC=C(CC)C(=O)OCC1(CC)CO1
InChIInChI=1S/C10H16O3/c1-4-8(3)9(11)12-6-10(5-2)7-13-10/h3-7H2,1-2H3
InChIKeyXOIOOCRFRWUXNR-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds5

About (2-ethyloxiran-2-yl)methyl 2-methylidenebutanoate

(2-ethyloxiran-2-yl)methyl 2-methylidenebutanoate (PubChem CID 15389868) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2-ethyloxiran-2-yl)methyl 2-methylidenebutanoate.

Molecular Properties

Compound Name(2-ethyloxiran-2-yl)methyl 2-methylidenebutanoate
PubChem CID15389868
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2-ethyloxiran-2-yl)methyl 2-methylidenebutanoate
SMILESC=C(CC)C(=O)OCC1(CC)CO1
InChIInChI=1S/C10H16O3/c1-4-8(3)9(11)12-6-10(5-2)7-13-10/h3-7H2,1-2H3
InChIKeyXOIOOCRFRWUXNR-UHFFFAOYSA-N
XLogP1.67
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethyloxiran-2-yl)methyl 2-methylidenebutanoate?
The IUPAC name of (2-ethyloxiran-2-yl)methyl 2-methylidenebutanoate (CID 15389868) is (2-ethyloxiran-2-yl)methyl 2-methylidenebutanoate.
What is the SMILES notation for (2-ethyloxiran-2-yl)methyl 2-methylidenebutanoate?
The canonical SMILES for (2-ethyloxiran-2-yl)methyl 2-methylidenebutanoate is C=C(CC)C(=O)OCC1(CC)CO1.
What is the InChIKey of (2-ethyloxiran-2-yl)methyl 2-methylidenebutanoate?
The InChIKey is XOIOOCRFRWUXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-8(3)9(11)12-6-10(5-2)7-13-10/h3-7H2,1-2H3.
What are the key properties of (2-ethyloxiran-2-yl)methyl 2-methylidenebutanoate?
(2-ethyloxiran-2-yl)methyl 2-methylidenebutanoate has a molecular weight of 184.23 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyloxiran-2-yl)methyl 2-methylidenebutanoate is sourced from PubChem (CID 15389868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).