oxiran-2-ylmethyl 2-methylidene-5-(oxiran-2-yl)pentanoate

C11H16O4 — CID 19937718

IUPACoxiran-2-ylmethyl 2-methylidene-5-(oxiran-2-yl)pentanoate
SMILESC=C(CCCC1CO1)C(=O)OCC1CO1
InChIInChI=1S/C11H16O4/c1-8(3-2-4-9-5-13-9)11(12)15-7-10-6-14-10/h9-10H,1-7H2
InChIKeyKCUKUVMYGBTBMW-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.05
Rot. Bonds7

About oxiran-2-ylmethyl 2-methylidene-5-(oxiran-2-yl)pentanoate

oxiran-2-ylmethyl 2-methylidene-5-(oxiran-2-yl)pentanoate (PubChem CID 19937718) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is oxiran-2-ylmethyl 2-methylidene-5-(oxiran-2-yl)pentanoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 2-methylidene-5-(oxiran-2-yl)pentanoate
PubChem CID19937718
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameoxiran-2-ylmethyl 2-methylidene-5-(oxiran-2-yl)pentanoate
SMILESC=C(CCCC1CO1)C(=O)OCC1CO1
InChIInChI=1S/C11H16O4/c1-8(3-2-4-9-5-13-9)11(12)15-7-10-6-14-10/h9-10H,1-7H2
InChIKeyKCUKUVMYGBTBMW-UHFFFAOYSA-N
XLogP1.05
TPSA51.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 oxiran-2-ylmethyl 2-methylidene-5-(oxiran-2-yl)pentanoate?
The IUPAC name of oxiran-2-ylmethyl 2-methylidene-5-(oxiran-2-yl)pentanoate (CID 19937718) is oxiran-2-ylmethyl 2-methylidene-5-(oxiran-2-yl)pentanoate.
What is the SMILES notation for oxiran-2-ylmethyl 2-methylidene-5-(oxiran-2-yl)pentanoate?
The canonical SMILES for oxiran-2-ylmethyl 2-methylidene-5-(oxiran-2-yl)pentanoate is C=C(CCCC1CO1)C(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl 2-methylidene-5-(oxiran-2-yl)pentanoate?
The InChIKey is KCUKUVMYGBTBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-8(3-2-4-9-5-13-9)11(12)15-7-10-6-14-10/h9-10H,1-7H2.
What are the key properties of oxiran-2-ylmethyl 2-methylidene-5-(oxiran-2-yl)pentanoate?
oxiran-2-ylmethyl 2-methylidene-5-(oxiran-2-yl)pentanoate has a molecular weight of 212.24 g/mol, XLogP of 1.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 2-methylidene-5-(oxiran-2-yl)pentanoate is sourced from PubChem (CID 19937718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).