1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one

C14H18O5 — CID 57143919

IUPAC1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one
SMILESCC=CC(=O)C(OC(C(=O)C=CC)C1CO1)C1CO1
InChIInChI=1S/C14H18O5/c1-3-5-9(15)13(11-7-17-11)19-14(12-8-18-12)10(16)6-4-2/h3-6,11-14H,7-8H2,1-2H3
InChIKeyGZHRVLJBDWTQOO-UHFFFAOYSA-N
MW266.29 g/mol
LogP0.83
Rot. Bonds8

About 1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one

1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one (PubChem CID 57143919) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one.

Molecular Properties

Compound Name1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one
PubChem CID57143919
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one
SMILESCC=CC(=O)C(OC(C(=O)C=CC)C1CO1)C1CO1
InChIInChI=1S/C14H18O5/c1-3-5-9(15)13(11-7-17-11)19-14(12-8-18-12)10(16)6-4-2/h3-6,11-14H,7-8H2,1-2H3
InChIKeyGZHRVLJBDWTQOO-UHFFFAOYSA-N
XLogP0.83
TPSA68.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one?
The IUPAC name of 1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one (CID 57143919) is 1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one.
What is the SMILES notation for 1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one?
The canonical SMILES for 1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one is CC=CC(=O)C(OC(C(=O)C=CC)C1CO1)C1CO1.
What is the InChIKey of 1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one?
The InChIKey is GZHRVLJBDWTQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-3-5-9(15)13(11-7-17-11)19-14(12-8-18-12)10(16)6-4-2/h3-6,11-14H,7-8H2,1-2H3.
What are the key properties of 1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one?
1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one has a molecular weight of 266.29 g/mol, XLogP of 0.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one is sourced from PubChem (CID 57143919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).