2,2,6,6-tetramethyloxane-4-carboxylic acid

C10H18O3 — CID 86721998

IUPAC2,2,6,6-tetramethyloxane-4-carboxylic acid
SMILESCC1(C)CC(C(=O)O)CC(C)(C)O1
InChIInChI=1S/C10H18O3/c1-9(2)5-7(8(11)12)6-10(3,4)13-9/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyUOFVEPKQZXHQSB-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.05
Rot. Bonds1

About 2,2,6,6-tetramethyloxane-4-carboxylic acid

2,2,6,6-tetramethyloxane-4-carboxylic acid (PubChem CID 86721998) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2,2,6,6-tetramethyloxane-4-carboxylic acid.

Molecular Properties

Compound Name2,2,6,6-tetramethyloxane-4-carboxylic acid
PubChem CID86721998
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2,2,6,6-tetramethyloxane-4-carboxylic acid
SMILESCC1(C)CC(C(=O)O)CC(C)(C)O1
InChIInChI=1S/C10H18O3/c1-9(2)5-7(8(11)12)6-10(3,4)13-9/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyUOFVEPKQZXHQSB-UHFFFAOYSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,6,6-tetramethyloxane-4-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 2,2,6,6-tetramethyloxane-4-carboxylic acid?
The IUPAC name of 2,2,6,6-tetramethyloxane-4-carboxylic acid (CID 86721998) is 2,2,6,6-tetramethyloxane-4-carboxylic acid.
What is the SMILES notation for 2,2,6,6-tetramethyloxane-4-carboxylic acid?
The canonical SMILES for 2,2,6,6-tetramethyloxane-4-carboxylic acid is CC1(C)CC(C(=O)O)CC(C)(C)O1.
What is the InChIKey of 2,2,6,6-tetramethyloxane-4-carboxylic acid?
The InChIKey is UOFVEPKQZXHQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(2)5-7(8(11)12)6-10(3,4)13-9/h7H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2,2,6,6-tetramethyloxane-4-carboxylic acid?
2,2,6,6-tetramethyloxane-4-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyloxane-4-carboxylic acid is sourced from PubChem (CID 86721998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).