2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid

C11H20O3 — CID 79926968

IUPAC2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid
SMILESCC(C(=O)O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C11H20O3/c1-7(9(12)13)8-6-10(2,3)14-11(8,4)5/h7-8H,6H2,1-5H3,(H,12,13)
InChIKeyMCQAOSHJSKUVDN-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.30
Rot. Bonds2

About 2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid

2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid (PubChem CID 79926968) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid
PubChem CID79926968
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid
SMILESCC(C(=O)O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C11H20O3/c1-7(9(12)13)8-6-10(2,3)14-11(8,4)5/h7-8H,6H2,1-5H3,(H,12,13)
InChIKeyMCQAOSHJSKUVDN-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorobutan-2-yl)-2,2,5,5-tetramethyloxolane
CID 114623946
3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-one
CID 114621793
2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 79933888
tert-butyl 2-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)acetate
CID 114621457
2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
CID 103451300
2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 115813931
3-(4-bromopentan-2-yl)-2,2,5,5-tetramethyloxolane
CID 114624288
1-adamantyl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622611
3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-ol
CID 114622056
2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622710
4-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-ol
CID 105132000
[1-(2-methylpropyl)cyclopentyl]-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 115838851

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid?
The IUPAC name of 2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid (CID 79926968) is 2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid.
What is the SMILES notation for 2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid?
The canonical SMILES for 2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid is CC(C(=O)O)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid?
The InChIKey is MCQAOSHJSKUVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-7(9(12)13)8-6-10(2,3)14-11(8,4)5/h7-8H,6H2,1-5H3,(H,12,13).
What are the key properties of 2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid?
2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid is sourced from PubChem (CID 79926968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).