8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione

C12H16O2 — CID 10899472

IUPAC8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione
SMILESCC1(C)CC(=O)C2(CC=CC2)C(=O)C1
InChIInChI=1S/C12H16O2/c1-11(2)7-9(13)12(10(14)8-11)5-3-4-6-12/h3-4H,5-8H2,1-2H3
InChIKeyHMWOWLABXDOENQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.28
Rot. Bonds

About 8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione

8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione (PubChem CID 10899472) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione.

Molecular Properties

Compound Name8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione
PubChem CID10899472
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione
SMILESCC1(C)CC(=O)C2(CC=CC2)C(=O)C1
InChIInChI=1S/C12H16O2/c1-11(2)7-9(13)12(10(14)8-11)5-3-4-6-12/h3-4H,5-8H2,1-2H3
InChIKeyHMWOWLABXDOENQ-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione?
The IUPAC name of 8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione (CID 10899472) is 8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione.
What is the SMILES notation for 8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione?
The canonical SMILES for 8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione is CC1(C)CC(=O)C2(CC=CC2)C(=O)C1.
What is the InChIKey of 8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione?
The InChIKey is HMWOWLABXDOENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-11(2)7-9(13)12(10(14)8-11)5-3-4-6-12/h3-4H,5-8H2,1-2H3.
What are the key properties of 8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione?
8,8-dimethylspiro[4.5]dec-2-ene-6,10-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 8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione is sourced from PubChem (CID 10899472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).