cyclohexyl 3-(3-ethyloxiran-2-yl)-2-methylpropanoate

C14H24O3 — CID 141216694

IUPACcyclohexyl 3-(3-ethyloxiran-2-yl)-2-methylpropanoate
SMILESCCC1OC1CC(C)C(=O)OC1CCCCC1
InChIInChI=1S/C14H24O3/c1-3-12-13(17-12)9-10(2)14(15)16-11-7-5-4-6-8-11/h10-13H,3-9H2,1-2H3
InChIKeyYDHPRZHBEMQNBS-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.07
Rot. Bonds5

About cyclohexyl 3-(3-ethyloxiran-2-yl)-2-methylpropanoate

cyclohexyl 3-(3-ethyloxiran-2-yl)-2-methylpropanoate (PubChem CID 141216694) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is cyclohexyl 3-(3-ethyloxiran-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Namecyclohexyl 3-(3-ethyloxiran-2-yl)-2-methylpropanoate
PubChem CID141216694
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Namecyclohexyl 3-(3-ethyloxiran-2-yl)-2-methylpropanoate
SMILESCCC1OC1CC(C)C(=O)OC1CCCCC1
InChIInChI=1S/C14H24O3/c1-3-12-13(17-12)9-10(2)14(15)16-11-7-5-4-6-8-11/h10-13H,3-9H2,1-2H3
InChIKeyYDHPRZHBEMQNBS-UHFFFAOYSA-N
XLogP3.07
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.07
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 cyclohexyl 3-(3-ethyloxiran-2-yl)-2-methylpropanoate?
The IUPAC name of cyclohexyl 3-(3-ethyloxiran-2-yl)-2-methylpropanoate (CID 141216694) is cyclohexyl 3-(3-ethyloxiran-2-yl)-2-methylpropanoate.
What is the SMILES notation for cyclohexyl 3-(3-ethyloxiran-2-yl)-2-methylpropanoate?
The canonical SMILES for cyclohexyl 3-(3-ethyloxiran-2-yl)-2-methylpropanoate is CCC1OC1CC(C)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 3-(3-ethyloxiran-2-yl)-2-methylpropanoate?
The InChIKey is YDHPRZHBEMQNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-3-12-13(17-12)9-10(2)14(15)16-11-7-5-4-6-8-11/h10-13H,3-9H2,1-2H3.
What are the key properties of cyclohexyl 3-(3-ethyloxiran-2-yl)-2-methylpropanoate?
cyclohexyl 3-(3-ethyloxiran-2-yl)-2-methylpropanoate has a molecular weight of 240.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-(3-ethyloxiran-2-yl)-2-methylpropanoate is sourced from PubChem (CID 141216694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).