6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione

C12H16O2 — CID 591228

IUPAC6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione
SMILESCC1=CC(=O)CC(C)C12CCC(=O)C2
InChIInChI=1S/C12H16O2/c1-8-5-11(14)6-9(2)12(8)4-3-10(13)7-12/h5,9H,3-4,6-7H2,1-2H3
InChIKeyOGDKSKNHHSXJNA-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.28
Rot. Bonds

About 6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione

6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione (PubChem CID 591228) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione.

Molecular Properties

Compound Name6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione
PubChem CID591228
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione
SMILESCC1=CC(=O)CC(C)C12CCC(=O)C2
InChIInChI=1S/C12H16O2/c1-8-5-11(14)6-9(2)12(8)4-3-10(13)7-12/h5,9H,3-4,6-7H2,1-2H3
InChIKeyOGDKSKNHHSXJNA-UHFFFAOYSA-N
XLogP2.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione?
The IUPAC name of 6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione (CID 591228) is 6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione.
What is the SMILES notation for 6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione?
The canonical SMILES for 6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione is CC1=CC(=O)CC(C)C12CCC(=O)C2.
What is the InChIKey of 6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione?
The InChIKey is OGDKSKNHHSXJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-5-11(14)6-9(2)12(8)4-3-10(13)7-12/h5,9H,3-4,6-7H2,1-2H3.
What are the key properties of 6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione?
6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione has a molecular weight of 192.26 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethylspiro[4.5]dec-9-ene-3,8-dione is sourced from PubChem (CID 591228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).