4-(dimethoxymethyl)-2,2,4-trimethylhexanoic acid

C12H24O4 — CID 18716742

IUPAC4-(dimethoxymethyl)-2,2,4-trimethylhexanoic acid
SMILESCCC(C)(CC(C)(C)C(=O)O)C(OC)OC
InChIInChI=1S/C12H24O4/c1-7-12(4,10(15-5)16-6)8-11(2,3)9(13)14/h10H,7-8H2,1-6H3,(H,13,14)
InChIKeyNMLWINMSGHHDBW-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.52
Rot. Bonds7

About 4-(dimethoxymethyl)-2,2,4-trimethylhexanoic acid

4-(dimethoxymethyl)-2,2,4-trimethylhexanoic acid (PubChem CID 18716742) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-2,2,4-trimethylhexanoic acid.

Molecular Properties

Compound Name4-(dimethoxymethyl)-2,2,4-trimethylhexanoic acid
PubChem CID18716742
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name4-(dimethoxymethyl)-2,2,4-trimethylhexanoic acid
SMILESCCC(C)(CC(C)(C)C(=O)O)C(OC)OC
InChIInChI=1S/C12H24O4/c1-7-12(4,10(15-5)16-6)8-11(2,3)9(13)14/h10H,7-8H2,1-6H3,(H,13,14)
InChIKeyNMLWINMSGHHDBW-UHFFFAOYSA-N
XLogP2.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-(dimethoxymethyl)-2,2,4-trimethylhexanoic 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

cis-(1R,3S)-3-(dimethoxymethyl)cyclopentane-1-carboxylic acid
CID 11116791
3-[(3S)-3-ethyl-2-methoxyoxolan-3-yl]propanoic acid
CID 11148366
(r)-5,5-Dimethoxy-3-methylpentanoic acid
CID 129819661
Methyl (r)-5,5-dimethoxy-3-methylpentanoic acid
CID 129820567
Methyl 2-ethyl-5,5-dimethoxypentanoate
CID 11030935
Methyl 4-dimethoxymethyl-hexanoate
CID 12952916
Methyl 5,5-dimethoxy-3,3-dimethylpentanoate
CID 13769901
5-Ethoxy-2-ethyl-2,4-dimethyl-5-oxopentanoic acid
CID 18716533
4-(Diethoxymethyl)-2-methylhexanoic acid
CID 18716741
4-(Dimethoxymethyl)-2-methylhexanoic acid
CID 18716743
4-Methoxycarbonyl-2,2,4-trimethylhexanoic acid
CID 18724953
Methyl 2,2-diethyl-5-hydroxypentanoate
CID 18784902

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-2,2,4-trimethylhexanoic acid?
The IUPAC name of 4-(dimethoxymethyl)-2,2,4-trimethylhexanoic acid (CID 18716742) is 4-(dimethoxymethyl)-2,2,4-trimethylhexanoic acid.
What is the SMILES notation for 4-(dimethoxymethyl)-2,2,4-trimethylhexanoic acid?
The canonical SMILES for 4-(dimethoxymethyl)-2,2,4-trimethylhexanoic acid is CCC(C)(CC(C)(C)C(=O)O)C(OC)OC.
What is the InChIKey of 4-(dimethoxymethyl)-2,2,4-trimethylhexanoic acid?
The InChIKey is NMLWINMSGHHDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-7-12(4,10(15-5)16-6)8-11(2,3)9(13)14/h10H,7-8H2,1-6H3,(H,13,14).
What are the key properties of 4-(dimethoxymethyl)-2,2,4-trimethylhexanoic acid?
4-(dimethoxymethyl)-2,2,4-trimethylhexanoic acid has a molecular weight of 232.32 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-2,2,4-trimethylhexanoic acid is sourced from PubChem (CID 18716742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).