(2S)-2-methoxyhexanoic acid

C7H14O3 — CID 129373931

IUPAC(2S)-2-methoxyhexanoic acid
SMILESCCCC[C@H](OC)C(=O)O
InChIInChI=1S/C7H14O3/c1-3-4-5-6(10-2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/t6-/m0/s1
InChIKeyBJMTXGZNEOVKTH-LURJTMIESA-N
MW146.19 g/mol
LogP1.28
Rot. Bonds5

About (2S)-2-methoxyhexanoic acid

(2S)-2-methoxyhexanoic acid (PubChem CID 129373931) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2S)-2-methoxyhexanoic acid.

Molecular Properties

Compound Name(2S)-2-methoxyhexanoic acid
PubChem CID129373931
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(2S)-2-methoxyhexanoic acid
SMILESCCCC[C@H](OC)C(=O)O
InChIInChI=1S/C7H14O3/c1-3-4-5-6(10-2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/t6-/m0/s1
InChIKeyBJMTXGZNEOVKTH-LURJTMIESA-N
XLogP1.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxyhexadecanoic acid
CID 656825
2-methoxytetracosanoic acid
CID 10453501
2-methoxypentacosanoic acid
CID 10476799
2,7-dimethoxyoctanedioic acid
CID 22717305
(Z)-2-methoxyoctadec-9-enoic acid
CID 46235517
5-amino-2-methoxypentanoic acid;hydrochloride
CID 160515650
5-methoxynonan-4-one
CID 83225262
2-methoxy-5-methylsulfanylpentanoic acid
CID 103090629
2-butylpropanedioic acid;dihydrochloride
CID 87134690
2-nitrooxyhexanoic acid
CID 13130235
acetyl 2-methoxyhexanoate
CID 88548292
(2R)-4-amino-2-methoxybutanoic acid
CID 124508923

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxyhexanoic acid?
The IUPAC name of (2S)-2-methoxyhexanoic acid (CID 129373931) is (2S)-2-methoxyhexanoic acid.
What is the SMILES notation for (2S)-2-methoxyhexanoic acid?
The canonical SMILES for (2S)-2-methoxyhexanoic acid is CCCC[C@H](OC)C(=O)O.
What is the InChIKey of (2S)-2-methoxyhexanoic acid?
The InChIKey is BJMTXGZNEOVKTH-LURJTMIESA-N. The full InChI is InChI=1S/C7H14O3/c1-3-4-5-6(10-2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/t6-/m0/s1.
What are the key properties of (2S)-2-methoxyhexanoic acid?
(2S)-2-methoxyhexanoic acid has a molecular weight of 146.19 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxyhexanoic acid is sourced from PubChem (CID 129373931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).