(2R)-2,6-dimethyloxane-4-carboxylic acid

C8H14O3 — CID 69262005

IUPAC(2R)-2,6-dimethyloxane-4-carboxylic acid
SMILESCC1CC(C(=O)O)C[C@@H](C)O1
InChIInChI=1S/C8H14O3/c1-5-3-7(8(9)10)4-6(2)11-5/h5-7H,3-4H2,1-2H3,(H,9,10)/t5-,6?,7?/m1/s1
InChIKeyPMKAHDGEZAFUAW-GRQBKTHUSA-N
MW158.20 g/mol
LogP1.27
Rot. Bonds1

About (2R)-2,6-dimethyloxane-4-carboxylic acid

(2R)-2,6-dimethyloxane-4-carboxylic acid (PubChem CID 69262005) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2R)-2,6-dimethyloxane-4-carboxylic acid.

Molecular Properties

Compound Name(2R)-2,6-dimethyloxane-4-carboxylic acid
PubChem CID69262005
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2R)-2,6-dimethyloxane-4-carboxylic acid
SMILESCC1CC(C(=O)O)C[C@@H](C)O1
InChIInChI=1S/C8H14O3/c1-5-3-7(8(9)10)4-6(2)11-5/h5-7H,3-4H2,1-2H3,(H,9,10)/t5-,6?,7?/m1/s1
InChIKeyPMKAHDGEZAFUAW-GRQBKTHUSA-N
XLogP1.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxyvalproic acid
CID 134467
2-(Propan-2-yl)oxane-4-carboxylic acid
CID 12640148
2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid
CID 3337663
2-(Oxan-3-yl)acetic acid
CID 22965767
2-propyloxane-4-carboxylic Acid
CID 3619356
2-methyloxane-4-carboxylic Acid
CID 3729256
3-(Oxan-4-yl)propanoic acid
CID 18669162
rac-(2R,4r,6S)-2,6-dimethyloxane-4-carboxylic acid
CID 59201431
2-Ethyloxane-4-carboxylic acid
CID 64099938
2-(3-Methyltetrahydro-2H-pyran-3-yl)acetic Acid
CID 83815592
2,2,6,6-Tetramethyloxane-4-carboxylic acid
CID 86721998
rac-(2R,4R)-2-methyloxane-4-carboxylic acid
CID 905929

Frequently Asked Questions

What is the IUPAC name of (2R)-2,6-dimethyloxane-4-carboxylic acid?
The IUPAC name of (2R)-2,6-dimethyloxane-4-carboxylic acid (CID 69262005) is (2R)-2,6-dimethyloxane-4-carboxylic acid.
What is the SMILES notation for (2R)-2,6-dimethyloxane-4-carboxylic acid?
The canonical SMILES for (2R)-2,6-dimethyloxane-4-carboxylic acid is CC1CC(C(=O)O)C[C@@H](C)O1.
What is the InChIKey of (2R)-2,6-dimethyloxane-4-carboxylic acid?
The InChIKey is PMKAHDGEZAFUAW-GRQBKTHUSA-N. The full InChI is InChI=1S/C8H14O3/c1-5-3-7(8(9)10)4-6(2)11-5/h5-7H,3-4H2,1-2H3,(H,9,10)/t5-,6?,7?/m1/s1.
What are the key properties of (2R)-2,6-dimethyloxane-4-carboxylic acid?
(2R)-2,6-dimethyloxane-4-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,6-dimethyloxane-4-carboxylic acid is sourced from PubChem (CID 69262005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).