4-methoxy-2-methyl-2-(oxan-4-ylmethoxy)butanoic acid

C12H22O5 — CID 114999724

IUPAC4-methoxy-2-methyl-2-(oxan-4-ylmethoxy)butanoic acid
SMILESCOCCC(C)(OCC1CCOCC1)C(=O)O
InChIInChI=1S/C12H22O5/c1-12(11(13)14,5-8-15-2)17-9-10-3-6-16-7-4-10/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyCPKNUAOXCYVJHT-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.31
Rot. Bonds7

About 4-methoxy-2-methyl-2-(oxan-4-ylmethoxy)butanoic acid

4-methoxy-2-methyl-2-(oxan-4-ylmethoxy)butanoic acid (PubChem CID 114999724) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 4-methoxy-2-methyl-2-(oxan-4-ylmethoxy)butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-methyl-2-(oxan-4-ylmethoxy)butanoic acid
PubChem CID114999724
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name4-methoxy-2-methyl-2-(oxan-4-ylmethoxy)butanoic acid
SMILESCOCCC(C)(OCC1CCOCC1)C(=O)O
InChIInChI=1S/C12H22O5/c1-12(11(13)14,5-8-15-2)17-9-10-3-6-16-7-4-10/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyCPKNUAOXCYVJHT-UHFFFAOYSA-N
XLogP1.31
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-2-methyl-2-(oxan-4-ylmethoxy)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cycloheptyloxy-4-methoxy-2-methylbutanoic acid
CID 114999950
oxan-4-ylmethyl 2-amino-2-methylbutanoate
CID 79797909
4-[(1-bromo-2-methylpropan-2-yl)oxymethyl]oxane
CID 114774046
2-cyclopentyl-3-methoxy-2-(oxan-4-ylmethyl)-3-oxopropanoic acid
CID 103974672
2-(2-cyclopentylethylamino)-4-methoxy-2-methylbutanoic acid
CID 115001166
2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid
CID 65248373
methyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate
CID 62385441
6-(2-methoxyethyl)-4a-(oxan-4-ylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid
CID 155859448
S-(2-methoxyethyl) 2-(cyclopentylmethoxy)-2-methylpropanethioate
CID 89371267
2-(oxan-4-ylmethoxy)propanoic acid
CID 62384175
2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoic acid
CID 62385992
3-(4-bromophenyl)-2-(cyclopropylmethoxy)-2-methylpropanoic acid
CID 67304707

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-2-(oxan-4-ylmethoxy)butanoic acid?
The IUPAC name of 4-methoxy-2-methyl-2-(oxan-4-ylmethoxy)butanoic acid (CID 114999724) is 4-methoxy-2-methyl-2-(oxan-4-ylmethoxy)butanoic acid.
What is the SMILES notation for 4-methoxy-2-methyl-2-(oxan-4-ylmethoxy)butanoic acid?
The canonical SMILES for 4-methoxy-2-methyl-2-(oxan-4-ylmethoxy)butanoic acid is COCCC(C)(OCC1CCOCC1)C(=O)O.
What is the InChIKey of 4-methoxy-2-methyl-2-(oxan-4-ylmethoxy)butanoic acid?
The InChIKey is CPKNUAOXCYVJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-12(11(13)14,5-8-15-2)17-9-10-3-6-16-7-4-10/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 4-methoxy-2-methyl-2-(oxan-4-ylmethoxy)butanoic acid?
4-methoxy-2-methyl-2-(oxan-4-ylmethoxy)butanoic acid has a molecular weight of 246.30 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-2-(oxan-4-ylmethoxy)butanoic acid is sourced from PubChem (CID 114999724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).