2-ethyloxirane;furan-2,5-dione;propan-1-ol

C11H18O5 — CID 87063854

IUPAC2-ethyloxirane;furan-2,5-dione;propan-1-ol
SMILESCCC1CO1.CCCO.O=C1C=CC(=O)O1
InChIInChI=1S/C4H2O3.C4H8O.C3H8O/c5-3-1-2-4(6)7-3;1-2-4-3-5-4;1-2-3-4/h1-2H;4H,2-3H2,1H3;4H,2-3H2,1H3
InChIKeyPPHSJKCPQCGNFG-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.81
Rot. Bonds2

About 2-ethyloxirane;furan-2,5-dione;propan-1-ol

2-ethyloxirane;furan-2,5-dione;propan-1-ol (PubChem CID 87063854) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-ethyloxirane;furan-2,5-dione;propan-1-ol.

Molecular Properties

Compound Name2-ethyloxirane;furan-2,5-dione;propan-1-ol
PubChem CID87063854
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name2-ethyloxirane;furan-2,5-dione;propan-1-ol
SMILESCCC1CO1.CCCO.O=C1C=CC(=O)O1
InChIInChI=1S/C4H2O3.C4H8O.C3H8O/c5-3-1-2-4(6)7-3;1-2-4-3-5-4;1-2-3-4/h1-2H;4H,2-3H2,1H3;4H,2-3H2,1H3
InChIKeyPPHSJKCPQCGNFG-UHFFFAOYSA-N
XLogP0.81
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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-ethyloxirane;furan-2,5-dione;propan-1-ol?
The IUPAC name of 2-ethyloxirane;furan-2,5-dione;propan-1-ol (CID 87063854) is 2-ethyloxirane;furan-2,5-dione;propan-1-ol.
What is the SMILES notation for 2-ethyloxirane;furan-2,5-dione;propan-1-ol?
The canonical SMILES for 2-ethyloxirane;furan-2,5-dione;propan-1-ol is CCC1CO1.CCCO.O=C1C=CC(=O)O1.
What is the InChIKey of 2-ethyloxirane;furan-2,5-dione;propan-1-ol?
The InChIKey is PPHSJKCPQCGNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2O3.C4H8O.C3H8O/c5-3-1-2-4(6)7-3;1-2-4-3-5-4;1-2-3-4/h1-2H;4H,2-3H2,1H3;4H,2-3H2,1H3.
What are the key properties of 2-ethyloxirane;furan-2,5-dione;propan-1-ol?
2-ethyloxirane;furan-2,5-dione;propan-1-ol has a molecular weight of 230.26 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyloxirane;furan-2,5-dione;propan-1-ol is sourced from PubChem (CID 87063854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).