8,8-dimethyl-7,9-dioxaspiro[4.5]dec-2-ene-6,10-dione

C10H12O4 — CID 11127177

IUPAC8,8-dimethyl-7,9-dioxaspiro[4.5]dec-2-ene-6,10-dione
SMILESCC1(C)OC(=O)C2(CC=CC2)C(=O)O1
InChIInChI=1S/C10H12O4/c1-9(2)13-7(11)10(8(12)14-9)5-3-4-6-10/h3-4H,5-6H2,1-2H3
InChIKeyXTYFMHCNRQGACF-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.16
Rot. Bonds

About 8,8-dimethyl-7,9-dioxaspiro[4.5]dec-2-ene-6,10-dione

8,8-dimethyl-7,9-dioxaspiro[4.5]dec-2-ene-6,10-dione (PubChem CID 11127177) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 8,8-dimethyl-7,9-dioxaspiro[4.5]dec-2-ene-6,10-dione.

Molecular Properties

Compound Name8,8-dimethyl-7,9-dioxaspiro[4.5]dec-2-ene-6,10-dione
PubChem CID11127177
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name8,8-dimethyl-7,9-dioxaspiro[4.5]dec-2-ene-6,10-dione
SMILESCC1(C)OC(=O)C2(CC=CC2)C(=O)O1
InChIInChI=1S/C10H12O4/c1-9(2)13-7(11)10(8(12)14-9)5-3-4-6-10/h3-4H,5-6H2,1-2H3
InChIKeyXTYFMHCNRQGACF-UHFFFAOYSA-N
XLogP1.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-dimethyl-7,9-dioxaspiro[4.5]dec-2-ene-6,10-dione?
The IUPAC name of 8,8-dimethyl-7,9-dioxaspiro[4.5]dec-2-ene-6,10-dione (CID 11127177) is 8,8-dimethyl-7,9-dioxaspiro[4.5]dec-2-ene-6,10-dione.
What is the SMILES notation for 8,8-dimethyl-7,9-dioxaspiro[4.5]dec-2-ene-6,10-dione?
The canonical SMILES for 8,8-dimethyl-7,9-dioxaspiro[4.5]dec-2-ene-6,10-dione is CC1(C)OC(=O)C2(CC=CC2)C(=O)O1.
What is the InChIKey of 8,8-dimethyl-7,9-dioxaspiro[4.5]dec-2-ene-6,10-dione?
The InChIKey is XTYFMHCNRQGACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-9(2)13-7(11)10(8(12)14-9)5-3-4-6-10/h3-4H,5-6H2,1-2H3.
What are the key properties of 8,8-dimethyl-7,9-dioxaspiro[4.5]dec-2-ene-6,10-dione?
8,8-dimethyl-7,9-dioxaspiro[4.5]dec-2-ene-6,10-dione has a molecular weight of 196.20 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-7,9-dioxaspiro[4.5]dec-2-ene-6,10-dione is sourced from PubChem (CID 11127177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).