2-methyl-2-(oxan-2-ylmethoxy)propanoic acid

C10H18O4 — CID 82238709

IUPAC2-methyl-2-(oxan-2-ylmethoxy)propanoic acid
SMILESCC(C)(OCC1CCCCO1)C(=O)O
InChIInChI=1S/C10H18O4/c1-10(2,9(11)12)14-7-8-5-3-4-6-13-8/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyGSTABSCULCZTCR-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.44
Rot. Bonds4

About 2-methyl-2-(oxan-2-ylmethoxy)propanoic acid

2-methyl-2-(oxan-2-ylmethoxy)propanoic acid (PubChem CID 82238709) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-methyl-2-(oxan-2-ylmethoxy)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(oxan-2-ylmethoxy)propanoic acid
PubChem CID82238709
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-methyl-2-(oxan-2-ylmethoxy)propanoic acid
SMILESCC(C)(OCC1CCCCO1)C(=O)O
InChIInChI=1S/C10H18O4/c1-10(2,9(11)12)14-7-8-5-3-4-6-13-8/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyGSTABSCULCZTCR-UHFFFAOYSA-N
XLogP1.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate
CID 66455223
2-methyl-2-[[(2S)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]propanoic acid
CID 125152183
2-cyclopropyl-2-(oxan-2-ylmethylamino)propanoic acid
CID 114995613
2-methyl-2-[methyl(oxan-2-ylmethyl)amino]propanoic acid
CID 61434067
oxan-2-ylmethyl 2-amino-3,3,3-trifluoro-2-methylpropanoate
CID 79799046
2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid
CID 65259862
2-[(1-iodo-2-methylpropan-2-yl)oxymethyl]oxolane
CID 114773009
2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid
CID 114998033
2-[(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethyl]oxane
CID 114772668
2,2-dimethyl-3-(oxan-2-ylmethylamino)-3-oxopropanoic acid
CID 82820907
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
2-ethyl-2-(methylamino)-5-(oxan-2-ylmethoxy)pentanoic acid
CID 106806865

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxan-2-ylmethoxy)propanoic acid?
The IUPAC name of 2-methyl-2-(oxan-2-ylmethoxy)propanoic acid (CID 82238709) is 2-methyl-2-(oxan-2-ylmethoxy)propanoic acid.
What is the SMILES notation for 2-methyl-2-(oxan-2-ylmethoxy)propanoic acid?
The canonical SMILES for 2-methyl-2-(oxan-2-ylmethoxy)propanoic acid is CC(C)(OCC1CCCCO1)C(=O)O.
What is the InChIKey of 2-methyl-2-(oxan-2-ylmethoxy)propanoic acid?
The InChIKey is GSTABSCULCZTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-10(2,9(11)12)14-7-8-5-3-4-6-13-8/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-2-(oxan-2-ylmethoxy)propanoic acid?
2-methyl-2-(oxan-2-ylmethoxy)propanoic acid has a molecular weight of 202.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxan-2-ylmethoxy)propanoic acid is sourced from PubChem (CID 82238709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).