6-methoxy-3,4-dimethylhexanoic acid

C9H18O3 — CID 116500421

IUPAC6-methoxy-3,4-dimethylhexanoic acid
SMILESCOCCC(C)C(C)CC(=O)O
InChIInChI=1S/C9H18O3/c1-7(4-5-12-3)8(2)6-9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyMUKUSKYVLNJBRP-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.77
Rot. Bonds6

About 6-methoxy-3,4-dimethylhexanoic acid

6-methoxy-3,4-dimethylhexanoic acid (PubChem CID 116500421) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 6-methoxy-3,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-methoxy-3,4-dimethylhexanoic acid
PubChem CID116500421
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name6-methoxy-3,4-dimethylhexanoic acid
SMILESCOCCC(C)C(C)CC(=O)O
InChIInChI=1S/C9H18O3/c1-7(4-5-12-3)8(2)6-9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyMUKUSKYVLNJBRP-UHFFFAOYSA-N
XLogP1.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-3,4-dimethylhexanoic 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-(2-methoxyethyl)butanedioic acid
CID 13255587
2-fluoro-5-methoxy-3-methylpentanoic acid
CID 81357953
3-(4-methoxybutan-2-ylamino)-3-oxopropanoic acid
CID 64604730
3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid
CID 103254890
carbonic acid;3-chloro-1-methoxybutane
CID 86749865
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
(3S,4S)-4-acetamido-5-methoxy-3-methylpentanoic acid
CID 97304447
dipropan-2-yl 2-(4-methoxybutan-2-yl)propanedioate
CID 116500640
2-[4-methoxybutan-2-yl(methyl)amino]acetic acid
CID 65056386
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoic acid
CID 146502180
3-(2-methoxyethylsulfinyl)butanoic acid
CID 61301794
2-[2-(2-methoxyethoxy)ethyl]butanedioic acid
CID 174998177

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,4-dimethylhexanoic acid?
The IUPAC name of 6-methoxy-3,4-dimethylhexanoic acid (CID 116500421) is 6-methoxy-3,4-dimethylhexanoic acid.
What is the SMILES notation for 6-methoxy-3,4-dimethylhexanoic acid?
The canonical SMILES for 6-methoxy-3,4-dimethylhexanoic acid is COCCC(C)C(C)CC(=O)O.
What is the InChIKey of 6-methoxy-3,4-dimethylhexanoic acid?
The InChIKey is MUKUSKYVLNJBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-7(4-5-12-3)8(2)6-9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 6-methoxy-3,4-dimethylhexanoic acid?
6-methoxy-3,4-dimethylhexanoic acid has a molecular weight of 174.24 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,4-dimethylhexanoic acid is sourced from PubChem (CID 116500421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).