2-butoxy-5-methoxyhexanoic acid

C11H22O4 — CID 152560243

IUPAC2-butoxy-5-methoxyhexanoic acid
SMILESCCCCOC(CCC(C)OC)C(=O)O
InChIInChI=1S/C11H22O4/c1-4-5-8-15-10(11(12)13)7-6-9(2)14-3/h9-10H,4-8H2,1-3H3,(H,12,13)
InChIKeyYPIGXKWKPWJKID-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.07
Rot. Bonds9

About 2-butoxy-5-methoxyhexanoic acid

2-butoxy-5-methoxyhexanoic acid (PubChem CID 152560243) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-butoxy-5-methoxyhexanoic acid.

Molecular Properties

Compound Name2-butoxy-5-methoxyhexanoic acid
PubChem CID152560243
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name2-butoxy-5-methoxyhexanoic acid
SMILESCCCCOC(CCC(C)OC)C(=O)O
InChIInChI=1S/C11H22O4/c1-4-5-8-15-10(11(12)13)7-6-9(2)14-3/h9-10H,4-8H2,1-3H3,(H,12,13)
InChIKeyYPIGXKWKPWJKID-UHFFFAOYSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-decoxydecanoic acid
CID 152638766
butyl 3-methoxybutyl carbonate
CID 87247600
(2S)-2-methoxyhexanoic acid
CID 129373931
2-(3-nonoxypropoxy)hexanoic acid
CID 175887191
2-methoxyhexadecanoic acid
CID 656825
2-methoxytetracosanoic acid
CID 10453501
(2S)-2-butoxy-3-methylbutanoic acid
CID 88938476
2-methoxypentacosanoic acid
CID 10476799
2-nonadecoxybutanedioic acid
CID 122611322
4-(1-butoxyethoxy)-2-[2-(1-butoxyethoxy)ethyl]butanoic acid
CID 87513837
2-(3-methylbut-3-enoxy)hexanoic acid
CID 114469942
1-butoxy-4-methoxypentane
CID 91807303

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-methoxyhexanoic acid?
The IUPAC name of 2-butoxy-5-methoxyhexanoic acid (CID 152560243) is 2-butoxy-5-methoxyhexanoic acid.
What is the SMILES notation for 2-butoxy-5-methoxyhexanoic acid?
The canonical SMILES for 2-butoxy-5-methoxyhexanoic acid is CCCCOC(CCC(C)OC)C(=O)O.
What is the InChIKey of 2-butoxy-5-methoxyhexanoic acid?
The InChIKey is YPIGXKWKPWJKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-4-5-8-15-10(11(12)13)7-6-9(2)14-3/h9-10H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 2-butoxy-5-methoxyhexanoic acid?
2-butoxy-5-methoxyhexanoic acid has a molecular weight of 218.29 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-methoxyhexanoic acid is sourced from PubChem (CID 152560243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).