spiro[5.7]tridecane-9,13-dione

C13H20O2 — CID 155931279

IUPACspiro[5.7]tridecane-9,13-dione
SMILESO=C1CCCC(=O)C2(CCCCC2)CC1
InChIInChI=1S/C13H20O2/c14-11-5-4-6-12(15)13(10-7-11)8-2-1-3-9-13/h1-10H2
InChIKeyLGTOYTMPOSMIAS-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.04
Rot. Bonds

About spiro[5.7]tridecane-9,13-dione

spiro[5.7]tridecane-9,13-dione (PubChem CID 155931279) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is spiro[5.7]tridecane-9,13-dione.

Molecular Properties

Compound Namespiro[5.7]tridecane-9,13-dione
PubChem CID155931279
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namespiro[5.7]tridecane-9,13-dione
SMILESO=C1CCCC(=O)C2(CCCCC2)CC1
InChIInChI=1S/C13H20O2/c14-11-5-4-6-12(15)13(10-7-11)8-2-1-3-9-13/h1-10H2
InChIKeyLGTOYTMPOSMIAS-UHFFFAOYSA-N
XLogP3.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[5.7]tridecane-9,13-dione?
The IUPAC name of spiro[5.7]tridecane-9,13-dione (CID 155931279) is spiro[5.7]tridecane-9,13-dione.
What is the SMILES notation for spiro[5.7]tridecane-9,13-dione?
The canonical SMILES for spiro[5.7]tridecane-9,13-dione is O=C1CCCC(=O)C2(CCCCC2)CC1.
What is the InChIKey of spiro[5.7]tridecane-9,13-dione?
The InChIKey is LGTOYTMPOSMIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c14-11-5-4-6-12(15)13(10-7-11)8-2-1-3-9-13/h1-10H2.
What are the key properties of spiro[5.7]tridecane-9,13-dione?
spiro[5.7]tridecane-9,13-dione has a molecular weight of 208.30 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5.7]tridecane-9,13-dione is sourced from PubChem (CID 155931279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).