2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetic acid

C9H14O4 — CID 86002429

IUPAC2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetic acid
SMILESO=C(O)CC1CCCC12OCCO2
InChIInChI=1S/C9H14O4/c10-8(11)6-7-2-1-3-9(7)12-4-5-13-9/h7H,1-6H2,(H,10,11)
InChIKeyMCRYAKAVYRVEOI-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.00
Rot. Bonds2

About 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetic acid

2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetic acid (PubChem CID 86002429) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetic acid.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetic acid
PubChem CID86002429
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetic acid
SMILESO=C(O)CC1CCCC12OCCO2
InChIInChI=1S/C9H14O4/c10-8(11)6-7-2-1-3-9(7)12-4-5-13-9/h7H,1-6H2,(H,10,11)
InChIKeyMCRYAKAVYRVEOI-UHFFFAOYSA-N
XLogP1.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetic 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-(1,4-dioxaspiro[4.4]nonan-9-yl)acetic acid?
The IUPAC name of 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetic acid (CID 86002429) is 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetic acid.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetic acid?
The canonical SMILES for 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetic acid is O=C(O)CC1CCCC12OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetic acid?
The InChIKey is MCRYAKAVYRVEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c10-8(11)6-7-2-1-3-9(7)12-4-5-13-9/h7H,1-6H2,(H,10,11).
What are the key properties of 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetic acid?
2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetic acid has a molecular weight of 186.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.4]nonan-9-yl)acetic acid is sourced from PubChem (CID 86002429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).