2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-ene-6,9-dione

C9H10O4 — CID 12043026

IUPAC2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-ene-6,9-dione
SMILESCC1(C)OCC2(O1)C(=O)C=CC2=O
InChIInChI=1S/C9H10O4/c1-8(2)12-5-9(13-8)6(10)3-4-7(9)11/h3-4H,5H2,1-2H3
InChIKeyUIPFLTAMWQPKHY-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.22
Rot. Bonds

About 2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-ene-6,9-dione

2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-ene-6,9-dione (PubChem CID 12043026) has the molecular formula C9H10O4 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-ene-6,9-dione.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-ene-6,9-dione
PubChem CID12043026
Molecular FormulaC9H10O4
Molecular Weight182.18 g/mol
Exact Mass182.06
IUPAC Name2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-ene-6,9-dione
SMILESCC1(C)OCC2(O1)C(=O)C=CC2=O
InChIInChI=1S/C9H10O4/c1-8(2)12-5-9(13-8)6(10)3-4-7(9)11/h3-4H,5H2,1-2H3
InChIKeyUIPFLTAMWQPKHY-UHFFFAOYSA-N
XLogP0.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-ene-6,9-dione?
The IUPAC name of 2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-ene-6,9-dione (CID 12043026) is 2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-ene-6,9-dione.
What is the SMILES notation for 2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-ene-6,9-dione?
The canonical SMILES for 2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-ene-6,9-dione is CC1(C)OCC2(O1)C(=O)C=CC2=O.
What is the InChIKey of 2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-ene-6,9-dione?
The InChIKey is UIPFLTAMWQPKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-8(2)12-5-9(13-8)6(10)3-4-7(9)11/h3-4H,5H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-ene-6,9-dione?
2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-ene-6,9-dione has a molecular weight of 182.18 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-ene-6,9-dione is sourced from PubChem (CID 12043026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).