2,7-dimethyl-5,8-dioxaspiro[2.7]decane-4,9-dione

C10H14O4 — CID 70018181

IUPAC2,7-dimethyl-5,8-dioxaspiro[2.7]decane-4,9-dione
SMILESCC1COC(=O)C2(CC(=O)O1)CC2C
InChIInChI=1S/C10H14O4/c1-6-3-10(6)4-8(11)14-7(2)5-13-9(10)12/h6-7H,3-5H2,1-2H3
InChIKeyPVQMIUNBAVCWLY-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.89
Rot. Bonds

About 2,7-dimethyl-5,8-dioxaspiro[2.7]decane-4,9-dione

2,7-dimethyl-5,8-dioxaspiro[2.7]decane-4,9-dione (PubChem CID 70018181) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2,7-dimethyl-5,8-dioxaspiro[2.7]decane-4,9-dione.

Molecular Properties

Compound Name2,7-dimethyl-5,8-dioxaspiro[2.7]decane-4,9-dione
PubChem CID70018181
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name2,7-dimethyl-5,8-dioxaspiro[2.7]decane-4,9-dione
SMILESCC1COC(=O)C2(CC(=O)O1)CC2C
InChIInChI=1S/C10H14O4/c1-6-3-10(6)4-8(11)14-7(2)5-13-9(10)12/h6-7H,3-5H2,1-2H3
InChIKeyPVQMIUNBAVCWLY-UHFFFAOYSA-N
XLogP0.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,7-dimethyl-5,8-dioxaspiro[2.7]decane-4,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5,8-dioxaspiro[2.7]decane-4,9-dione?
The IUPAC name of 2,7-dimethyl-5,8-dioxaspiro[2.7]decane-4,9-dione (CID 70018181) is 2,7-dimethyl-5,8-dioxaspiro[2.7]decane-4,9-dione.
What is the SMILES notation for 2,7-dimethyl-5,8-dioxaspiro[2.7]decane-4,9-dione?
The canonical SMILES for 2,7-dimethyl-5,8-dioxaspiro[2.7]decane-4,9-dione is CC1COC(=O)C2(CC(=O)O1)CC2C.
What is the InChIKey of 2,7-dimethyl-5,8-dioxaspiro[2.7]decane-4,9-dione?
The InChIKey is PVQMIUNBAVCWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-6-3-10(6)4-8(11)14-7(2)5-13-9(10)12/h6-7H,3-5H2,1-2H3.
What are the key properties of 2,7-dimethyl-5,8-dioxaspiro[2.7]decane-4,9-dione?
2,7-dimethyl-5,8-dioxaspiro[2.7]decane-4,9-dione has a molecular weight of 198.22 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5,8-dioxaspiro[2.7]decane-4,9-dione is sourced from PubChem (CID 70018181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).