1,4-dioxaspiro[4.5]decane-8-carboxylic acid;2,2,2-trifluoroacetic acid

C11H15F3O6 — CID 175932026

IUPAC1,4-dioxaspiro[4.5]decane-8-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)C1CCC2(CC1)OCCO2
InChIInChI=1S/C9H14O4.C2HF3O2/c10-8(11)7-1-3-9(4-2-7)12-5-6-13-9;3-2(4,5)1(6)7/h7H,1-6H2,(H,10,11);(H,6,7)
InChIKeyOYAYGPCCICNLOK-UHFFFAOYSA-N
MW300.23 g/mol
LogP1.64
Rot. Bonds1

About 1,4-dioxaspiro[4.5]decane-8-carboxylic acid;2,2,2-trifluoroacetic acid

1,4-dioxaspiro[4.5]decane-8-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 175932026) has the molecular formula C11H15F3O6 and a molecular weight of 300.23 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]decane-8-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]decane-8-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID175932026
Molecular FormulaC11H15F3O6
Molecular Weight300.23 g/mol
Exact Mass300.08
IUPAC Name1,4-dioxaspiro[4.5]decane-8-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)C1CCC2(CC1)OCCO2
InChIInChI=1S/C9H14O4.C2HF3O2/c10-8(11)7-1-3-9(4-2-7)12-5-6-13-9;3-2(4,5)1(6)7/h7H,1-6H2,(H,10,11);(H,6,7)
InChIKeyOYAYGPCCICNLOK-UHFFFAOYSA-N
XLogP1.64
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.5]decane-8-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,4-dioxaspiro[4.5]decane-8-carboxylic acid;2,2,2-trifluoroacetic acid (CID 175932026) is 1,4-dioxaspiro[4.5]decane-8-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,4-dioxaspiro[4.5]decane-8-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,4-dioxaspiro[4.5]decane-8-carboxylic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)C1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.5]decane-8-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is OYAYGPCCICNLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4.C2HF3O2/c10-8(11)7-1-3-9(4-2-7)12-5-6-13-9;3-2(4,5)1(6)7/h7H,1-6H2,(H,10,11);(H,6,7).
What are the key properties of 1,4-dioxaspiro[4.5]decane-8-carboxylic acid;2,2,2-trifluoroacetic acid?
1,4-dioxaspiro[4.5]decane-8-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 300.23 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.5]decane-8-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175932026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).