spiro[5.6]dodecane-5,12-dione

C12H18O2 — CID 534624

IUPACspiro[5.6]dodecane-5,12-dione
SMILESO=C1CCCCCC12CCCCC2=O
InChIInChI=1S/C12H18O2/c13-10-6-2-1-4-8-12(10)9-5-3-7-11(12)14/h1-9H2
InChIKeyOWUDXHQNGCAFQM-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.65
Rot. Bonds

About spiro[5.6]dodecane-5,12-dione

spiro[5.6]dodecane-5,12-dione (PubChem CID 534624) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is spiro[5.6]dodecane-5,12-dione.

Molecular Properties

Compound Namespiro[5.6]dodecane-5,12-dione
PubChem CID534624
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namespiro[5.6]dodecane-5,12-dione
SMILESO=C1CCCCCC12CCCCC2=O
InChIInChI=1S/C12H18O2/c13-10-6-2-1-4-8-12(10)9-5-3-7-11(12)14/h1-9H2
InChIKeyOWUDXHQNGCAFQM-UHFFFAOYSA-N
XLogP2.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 spiro[5.6]dodecane-5,12-dione?
The IUPAC name of spiro[5.6]dodecane-5,12-dione (CID 534624) is spiro[5.6]dodecane-5,12-dione.
What is the SMILES notation for spiro[5.6]dodecane-5,12-dione?
The canonical SMILES for spiro[5.6]dodecane-5,12-dione is O=C1CCCCCC12CCCCC2=O.
What is the InChIKey of spiro[5.6]dodecane-5,12-dione?
The InChIKey is OWUDXHQNGCAFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c13-10-6-2-1-4-8-12(10)9-5-3-7-11(12)14/h1-9H2.
What are the key properties of spiro[5.6]dodecane-5,12-dione?
spiro[5.6]dodecane-5,12-dione has a molecular weight of 194.27 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5.6]dodecane-5,12-dione is sourced from PubChem (CID 534624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).