oxacyclododecane-2,12-dione

C11H18O3 — CID 14785770

IUPACoxacyclododecane-2,12-dione
SMILESO=C1CCCCCCCCCC(=O)O1
InChIInChI=1S/C11H18O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14-10/h1-9H2
InChIKeyRTBOCNNRWLDNMU-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.58
Rot. Bonds

About oxacyclododecane-2,12-dione

oxacyclododecane-2,12-dione (PubChem CID 14785770) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is oxacyclododecane-2,12-dione.

Molecular Properties

Compound Nameoxacyclododecane-2,12-dione
PubChem CID14785770
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nameoxacyclododecane-2,12-dione
SMILESO=C1CCCCCCCCCC(=O)O1
InChIInChI=1S/C11H18O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14-10/h1-9H2
InChIKeyRTBOCNNRWLDNMU-UHFFFAOYSA-N
XLogP2.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxacyclododecane-2,12-dione?
The IUPAC name of oxacyclododecane-2,12-dione (CID 14785770) is oxacyclododecane-2,12-dione.
What is the SMILES notation for oxacyclododecane-2,12-dione?
The canonical SMILES for oxacyclododecane-2,12-dione is O=C1CCCCCCCCCC(=O)O1.
What is the InChIKey of oxacyclododecane-2,12-dione?
The InChIKey is RTBOCNNRWLDNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14-10/h1-9H2.
What are the key properties of oxacyclododecane-2,12-dione?
oxacyclododecane-2,12-dione has a molecular weight of 198.26 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxacyclododecane-2,12-dione is sourced from PubChem (CID 14785770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).