5,8-dioxaspiro[3.4]octane-2-carboxylic acid

C7H10O4 — CID 45158798

IUPAC5,8-dioxaspiro[3.4]octane-2-carboxylic acid
SMILESO=C(O)C1CC2(C1)OCCO2
InChIInChI=1S/C7H10O4/c8-6(9)5-3-7(4-5)10-1-2-11-7/h5H,1-4H2,(H,8,9)
InChIKeyPGWGOPXPTJDZKT-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.22
Rot. Bonds1

About 5,8-dioxaspiro[3.4]octane-2-carboxylic acid

5,8-dioxaspiro[3.4]octane-2-carboxylic acid (PubChem CID 45158798) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 5,8-dioxaspiro[3.4]octane-2-carboxylic acid.

Molecular Properties

Compound Name5,8-dioxaspiro[3.4]octane-2-carboxylic acid
PubChem CID45158798
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name5,8-dioxaspiro[3.4]octane-2-carboxylic acid
SMILESO=C(O)C1CC2(C1)OCCO2
InChIInChI=1S/C7H10O4/c8-6(9)5-3-7(4-5)10-1-2-11-7/h5H,1-4H2,(H,8,9)
InChIKeyPGWGOPXPTJDZKT-UHFFFAOYSA-N
XLogP0.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,8-dioxaspiro[3.4]octane-2-carboxylic acid?
The IUPAC name of 5,8-dioxaspiro[3.4]octane-2-carboxylic acid (CID 45158798) is 5,8-dioxaspiro[3.4]octane-2-carboxylic acid.
What is the SMILES notation for 5,8-dioxaspiro[3.4]octane-2-carboxylic acid?
The canonical SMILES for 5,8-dioxaspiro[3.4]octane-2-carboxylic acid is O=C(O)C1CC2(C1)OCCO2.
What is the InChIKey of 5,8-dioxaspiro[3.4]octane-2-carboxylic acid?
The InChIKey is PGWGOPXPTJDZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c8-6(9)5-3-7(4-5)10-1-2-11-7/h5H,1-4H2,(H,8,9).
What are the key properties of 5,8-dioxaspiro[3.4]octane-2-carboxylic acid?
5,8-dioxaspiro[3.4]octane-2-carboxylic acid has a molecular weight of 158.15 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dioxaspiro[3.4]octane-2-carboxylic acid is sourced from PubChem (CID 45158798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).