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

C14H18O5 — CID 87698636

IUPAC(E)-1-(oxiran-2-yl)-1-[(E)-1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one
SMILESC/C=C/C(=O)C(OC(C(=O)/C=C/C)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/b5-3+,6-4+
InChIKeyGZHRVLJBDWTQOO-GGWOSOGESA-N
MW266.29 g/mol
LogP0.83
Rot. Bonds8

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

(E)-1-(oxiran-2-yl)-1-[(E)-1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one (PubChem CID 87698636) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is (E)-1-(oxiran-2-yl)-1-[(E)-1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one.

Molecular Properties

Compound Name(E)-1-(oxiran-2-yl)-1-[(E)-1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one
PubChem CID87698636
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name(E)-1-(oxiran-2-yl)-1-[(E)-1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one
SMILESC/C=C/C(=O)C(OC(C(=O)/C=C/C)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/b5-3+,6-4+
InChIKeyGZHRVLJBDWTQOO-GGWOSOGESA-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 (E)-1-(oxiran-2-yl)-1-[(E)-1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one?
The IUPAC name of (E)-1-(oxiran-2-yl)-1-[(E)-1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one (CID 87698636) is (E)-1-(oxiran-2-yl)-1-[(E)-1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one.
What is the SMILES notation for (E)-1-(oxiran-2-yl)-1-[(E)-1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one?
The canonical SMILES for (E)-1-(oxiran-2-yl)-1-[(E)-1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one is C/C=C/C(=O)C(OC(C(=O)/C=C/C)C1CO1)C1CO1.
What is the InChIKey of (E)-1-(oxiran-2-yl)-1-[(E)-1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one?
The InChIKey is GZHRVLJBDWTQOO-GGWOSOGESA-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/b5-3+,6-4+.
What are the key properties of (E)-1-(oxiran-2-yl)-1-[(E)-1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one?
(E)-1-(oxiran-2-yl)-1-[(E)-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 (E)-1-(oxiran-2-yl)-1-[(E)-1-(oxiran-2-yl)-2-oxopent-3-enoxy]pent-3-en-2-one is sourced from PubChem (CID 87698636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).