(2R)-2-(methoxymethyl)oxane-2-carboxylic acid

C8H14O4 — CID 129412517

IUPAC(2R)-2-(methoxymethyl)oxane-2-carboxylic acid
SMILESCOC[C@@]1(C(=O)O)CCCCO1
InChIInChI=1S/C8H14O4/c1-11-6-8(7(9)10)4-2-3-5-12-8/h2-6H2,1H3,(H,9,10)/t8-/m1/s1
InChIKeyCWSWHKCJZSRKIB-MRVPVSSYSA-N
MW174.20 g/mol
LogP0.66
Rot. Bonds3

About (2R)-2-(methoxymethyl)oxane-2-carboxylic acid

(2R)-2-(methoxymethyl)oxane-2-carboxylic acid (PubChem CID 129412517) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2R)-2-(methoxymethyl)oxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(methoxymethyl)oxane-2-carboxylic acid
PubChem CID129412517
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(2R)-2-(methoxymethyl)oxane-2-carboxylic acid
SMILESCOC[C@@]1(C(=O)O)CCCCO1
InChIInChI=1S/C8H14O4/c1-11-6-8(7(9)10)4-2-3-5-12-8/h2-6H2,1H3,(H,9,10)/t8-/m1/s1
InChIKeyCWSWHKCJZSRKIB-MRVPVSSYSA-N
XLogP0.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methoxymethyl 2-ethyloxane-2-carboxylate
CID 122528556
2-(bromomethyl)-2-(methoxymethyl)oxane
CID 130624431
2-benzyloxane-2-carboxylic acid
CID 12030266
2-methoxy-2-(methoxymethyl)oxane
CID 45090978
2-(1,3-thiazol-4-ylmethyl)oxane-2-carboxylic acid
CID 127019769
2-[1-(methoxymethyl)cyclohexyl]acetic acid
CID 115017080
1-[(2R)-2-ethyloxolan-2-yl]ethanone
CID 167251842
1-(methoxymethyl)cyclohexan-1-ol
CID 12552140
2-benzyloxolane-2-carboxylic acid
CID 18467992
2-(oxan-4-ylmethyl)oxolane-2-carboxylic acid
CID 131026714
(2-propyloxan-2-yl)methanol
CID 130609944
1-[1-(methoxymethyl)cyclohexyl]propan-1-one
CID 66919838

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxymethyl)oxane-2-carboxylic acid?
The IUPAC name of (2R)-2-(methoxymethyl)oxane-2-carboxylic acid (CID 129412517) is (2R)-2-(methoxymethyl)oxane-2-carboxylic acid.
What is the SMILES notation for (2R)-2-(methoxymethyl)oxane-2-carboxylic acid?
The canonical SMILES for (2R)-2-(methoxymethyl)oxane-2-carboxylic acid is COC[C@@]1(C(=O)O)CCCCO1.
What is the InChIKey of (2R)-2-(methoxymethyl)oxane-2-carboxylic acid?
The InChIKey is CWSWHKCJZSRKIB-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O4/c1-11-6-8(7(9)10)4-2-3-5-12-8/h2-6H2,1H3,(H,9,10)/t8-/m1/s1.
What are the key properties of (2R)-2-(methoxymethyl)oxane-2-carboxylic acid?
(2R)-2-(methoxymethyl)oxane-2-carboxylic acid has a molecular weight of 174.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxymethyl)oxane-2-carboxylic acid is sourced from PubChem (CID 129412517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).