(8E)-1-oxacycloundec-8-ene-2,7-dione

C10H14O3 — CID 5364708

IUPAC(8E)-1-oxacycloundec-8-ene-2,7-dione
SMILESO=C1/C=C/CCOC(=O)CCCC1
InChIInChI=1S/C10H14O3/c11-9-5-1-2-7-10(12)13-8-4-3-6-9/h3,6H,1-2,4-5,7-8H2/b6-3+
InChIKeyAMJDXUJMKJIGTH-ZZXKWVIFSA-N
MW182.22 g/mol
LogP1.62
Rot. Bonds

About (8E)-1-oxacycloundec-8-ene-2,7-dione

(8E)-1-oxacycloundec-8-ene-2,7-dione (PubChem CID 5364708) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (8E)-1-oxacycloundec-8-ene-2,7-dione.

Molecular Properties

Compound Name(8E)-1-oxacycloundec-8-ene-2,7-dione
PubChem CID5364708
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(8E)-1-oxacycloundec-8-ene-2,7-dione
SMILESO=C1/C=C/CCOC(=O)CCCC1
InChIInChI=1S/C10H14O3/c11-9-5-1-2-7-10(12)13-8-4-3-6-9/h3,6H,1-2,4-5,7-8H2/b6-3+
InChIKeyAMJDXUJMKJIGTH-ZZXKWVIFSA-N
XLogP1.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(2E)-cyclononadec-2-en-1-one
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Frequently Asked Questions

What is the IUPAC name of (8E)-1-oxacycloundec-8-ene-2,7-dione?
The IUPAC name of (8E)-1-oxacycloundec-8-ene-2,7-dione (CID 5364708) is (8E)-1-oxacycloundec-8-ene-2,7-dione.
What is the SMILES notation for (8E)-1-oxacycloundec-8-ene-2,7-dione?
The canonical SMILES for (8E)-1-oxacycloundec-8-ene-2,7-dione is O=C1/C=C/CCOC(=O)CCCC1.
What is the InChIKey of (8E)-1-oxacycloundec-8-ene-2,7-dione?
The InChIKey is AMJDXUJMKJIGTH-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H14O3/c11-9-5-1-2-7-10(12)13-8-4-3-6-9/h3,6H,1-2,4-5,7-8H2/b6-3+.
What are the key properties of (8E)-1-oxacycloundec-8-ene-2,7-dione?
(8E)-1-oxacycloundec-8-ene-2,7-dione has a molecular weight of 182.22 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-1-oxacycloundec-8-ene-2,7-dione is sourced from PubChem (CID 5364708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).