2,2,4,4-tetramethyloxolane-3-carboxylic acid

C9H16O3 — CID 155819651

IUPAC2,2,4,4-tetramethyloxolane-3-carboxylic acid
SMILESCC1(C)COC(C)(C)C1C(=O)O
InChIInChI=1S/C9H16O3/c1-8(2)5-12-9(3,4)6(8)7(10)11/h6H,5H2,1-4H3,(H,10,11)
InChIKeyOOXZINGOZDHBHZ-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.52
Rot. Bonds1

About 2,2,4,4-tetramethyloxolane-3-carboxylic acid

2,2,4,4-tetramethyloxolane-3-carboxylic acid (PubChem CID 155819651) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2,2,4,4-tetramethyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name2,2,4,4-tetramethyloxolane-3-carboxylic acid
PubChem CID155819651
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2,2,4,4-tetramethyloxolane-3-carboxylic acid
SMILESCC1(C)COC(C)(C)C1C(=O)O
InChIInChI=1S/C9H16O3/c1-8(2)5-12-9(3,4)6(8)7(10)11/h6H,5H2,1-4H3,(H,10,11)
InChIKeyOOXZINGOZDHBHZ-UHFFFAOYSA-N
XLogP1.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyloxolane-3-carboxylic acid?
The IUPAC name of 2,2,4,4-tetramethyloxolane-3-carboxylic acid (CID 155819651) is 2,2,4,4-tetramethyloxolane-3-carboxylic acid.
What is the SMILES notation for 2,2,4,4-tetramethyloxolane-3-carboxylic acid?
The canonical SMILES for 2,2,4,4-tetramethyloxolane-3-carboxylic acid is CC1(C)COC(C)(C)C1C(=O)O.
What is the InChIKey of 2,2,4,4-tetramethyloxolane-3-carboxylic acid?
The InChIKey is OOXZINGOZDHBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-8(2)5-12-9(3,4)6(8)7(10)11/h6H,5H2,1-4H3,(H,10,11).
What are the key properties of 2,2,4,4-tetramethyloxolane-3-carboxylic acid?
2,2,4,4-tetramethyloxolane-3-carboxylic acid has a molecular weight of 172.22 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyloxolane-3-carboxylic acid is sourced from PubChem (CID 155819651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).