2,5-dioxaspiro[3.5]non-7-ene-7-carboxylic acid

C8H10O4 — CID 154814457

IUPAC2,5-dioxaspiro[3.5]non-7-ene-7-carboxylic acid
SMILESO=C(O)C1=CCC2(COC2)OC1
InChIInChI=1S/C8H10O4/c9-7(10)6-1-2-8(12-3-6)4-11-5-8/h1H,2-5H2,(H,9,10)
InChIKeyDEMFVUCEMWIENP-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.19
Rot. Bonds1

About 2,5-dioxaspiro[3.5]non-7-ene-7-carboxylic acid

2,5-dioxaspiro[3.5]non-7-ene-7-carboxylic acid (PubChem CID 154814457) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 2,5-dioxaspiro[3.5]non-7-ene-7-carboxylic acid.

Molecular Properties

Compound Name2,5-dioxaspiro[3.5]non-7-ene-7-carboxylic acid
PubChem CID154814457
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name2,5-dioxaspiro[3.5]non-7-ene-7-carboxylic acid
SMILESO=C(O)C1=CCC2(COC2)OC1
InChIInChI=1S/C8H10O4/c9-7(10)6-1-2-8(12-3-6)4-11-5-8/h1H,2-5H2,(H,9,10)
InChIKeyDEMFVUCEMWIENP-UHFFFAOYSA-N
XLogP0.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dioxaspiro[3.5]non-7-ene-7-carboxylic acid 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 2,5-dioxaspiro[3.5]non-7-ene-7-carboxylic acid?
The IUPAC name of 2,5-dioxaspiro[3.5]non-7-ene-7-carboxylic acid (CID 154814457) is 2,5-dioxaspiro[3.5]non-7-ene-7-carboxylic acid.
What is the SMILES notation for 2,5-dioxaspiro[3.5]non-7-ene-7-carboxylic acid?
The canonical SMILES for 2,5-dioxaspiro[3.5]non-7-ene-7-carboxylic acid is O=C(O)C1=CCC2(COC2)OC1.
What is the InChIKey of 2,5-dioxaspiro[3.5]non-7-ene-7-carboxylic acid?
The InChIKey is DEMFVUCEMWIENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c9-7(10)6-1-2-8(12-3-6)4-11-5-8/h1H,2-5H2,(H,9,10).
What are the key properties of 2,5-dioxaspiro[3.5]non-7-ene-7-carboxylic acid?
2,5-dioxaspiro[3.5]non-7-ene-7-carboxylic acid has a molecular weight of 170.16 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxaspiro[3.5]non-7-ene-7-carboxylic acid is sourced from PubChem (CID 154814457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).