5-methoxy-3-methylhexanoic acid

C8H16O3 — CID 150312715

IUPAC5-methoxy-3-methylhexanoic acid
SMILESCOC(C)CC(C)CC(=O)O
InChIInChI=1S/C8H16O3/c1-6(5-8(9)10)4-7(2)11-3/h6-7H,4-5H2,1-3H3,(H,9,10)
InChIKeyGLYSQTJYGSWGPQ-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.52
Rot. Bonds5

About 5-methoxy-3-methylhexanoic acid

5-methoxy-3-methylhexanoic acid (PubChem CID 150312715) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 5-methoxy-3-methylhexanoic acid.

Molecular Properties

Compound Name5-methoxy-3-methylhexanoic acid
PubChem CID150312715
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name5-methoxy-3-methylhexanoic acid
SMILESCOC(C)CC(C)CC(=O)O
InChIInChI=1S/C8H16O3/c1-6(5-8(9)10)4-7(2)11-3/h6-7H,4-5H2,1-3H3,(H,9,10)
InChIKeyGLYSQTJYGSWGPQ-UHFFFAOYSA-N
XLogP1.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-methoxybutanoic acid
CID 51374275
strontium;hydride;3-methylpentanedioic acid
CID 173490798
(3R,5R,6S)-5-amino-3,6-dimethyloctanoic acid
CID 125427142
(3R,5S,6S)-5-amino-3,6-dimethyloctanoic acid
CID 125427143
5-hydroxy-3-methylheptanoic acid
CID 143025483
(3S,5R)-3,5-dimethyloctanoic acid
CID 175942531
2-amino-4-methoxypentanoic acid
CID 21255646
(4R)-4-methoxypentan-2-one
CID 10749159
1,4-dimethoxy-2-methylpentane
CID 58003999
N-(1,3-dimethoxybutyl)acetamide
CID 22123473
5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid
CID 62965063
(2R,4S)-4-methoxypentan-2-ol
CID 59003340

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methylhexanoic acid?
The IUPAC name of 5-methoxy-3-methylhexanoic acid (CID 150312715) is 5-methoxy-3-methylhexanoic acid.
What is the SMILES notation for 5-methoxy-3-methylhexanoic acid?
The canonical SMILES for 5-methoxy-3-methylhexanoic acid is COC(C)CC(C)CC(=O)O.
What is the InChIKey of 5-methoxy-3-methylhexanoic acid?
The InChIKey is GLYSQTJYGSWGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-6(5-8(9)10)4-7(2)11-3/h6-7H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 5-methoxy-3-methylhexanoic acid?
5-methoxy-3-methylhexanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methylhexanoic acid is sourced from PubChem (CID 150312715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).