2-[6-(hydroxymethyl)-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid

C11H18O6 — CID 175807426

IUPAC2-[6-(hydroxymethyl)-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid
SMILESCC1(C)OCC2(O1)C(CC(=O)O)COC2CO
InChIInChI=1S/C11H18O6/c1-10(2)16-6-11(17-10)7(3-9(13)14)5-15-8(11)4-12/h7-8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyJAZNNDANIQQTJJ-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.01
Rot. Bonds3

About 2-[6-(hydroxymethyl)-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid

2-[6-(hydroxymethyl)-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid (PubChem CID 175807426) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid
PubChem CID175807426
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Name2-[6-(hydroxymethyl)-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid
SMILESCC1(C)OCC2(O1)C(CC(=O)O)COC2CO
InChIInChI=1S/C11H18O6/c1-10(2)16-6-11(17-10)7(3-9(13)14)5-15-8(11)4-12/h7-8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyJAZNNDANIQQTJJ-UHFFFAOYSA-N
XLogP-0.01
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-(hydroxymethyl)-2,2-dimethyl-1,3,7-trioxaspiro[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-[6-(hydroxymethyl)-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid?
The IUPAC name of 2-[6-(hydroxymethyl)-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid (CID 175807426) is 2-[6-(hydroxymethyl)-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid.
What is the SMILES notation for 2-[6-(hydroxymethyl)-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid?
The canonical SMILES for 2-[6-(hydroxymethyl)-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid is CC1(C)OCC2(O1)C(CC(=O)O)COC2CO.
What is the InChIKey of 2-[6-(hydroxymethyl)-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid?
The InChIKey is JAZNNDANIQQTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O6/c1-10(2)16-6-11(17-10)7(3-9(13)14)5-15-8(11)4-12/h7-8,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[6-(hydroxymethyl)-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid?
2-[6-(hydroxymethyl)-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid has a molecular weight of 246.26 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(hydroxymethyl)-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-9-yl]acetic acid is sourced from PubChem (CID 175807426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).