2-[2-(carboxymethoxymethyl)butoxy]hexanoic acid

C13H24O6 — CID 19830333

IUPAC2-[2-(carboxymethoxymethyl)butoxy]hexanoic acid
SMILESCCCCC(OCC(CC)COCC(=O)O)C(=O)O
InChIInChI=1S/C13H24O6/c1-3-5-6-11(13(16)17)19-8-10(4-2)7-18-9-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyMTUVCAVHQDKMRP-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.77
Rot. Bonds12

About 2-[2-(carboxymethoxymethyl)butoxy]hexanoic acid

2-[2-(carboxymethoxymethyl)butoxy]hexanoic acid (PubChem CID 19830333) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-[2-(carboxymethoxymethyl)butoxy]hexanoic acid.

Molecular Properties

Compound Name2-[2-(carboxymethoxymethyl)butoxy]hexanoic acid
PubChem CID19830333
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name2-[2-(carboxymethoxymethyl)butoxy]hexanoic acid
SMILESCCCCC(OCC(CC)COCC(=O)O)C(=O)O
InChIInChI=1S/C13H24O6/c1-3-5-6-11(13(16)17)19-8-10(4-2)7-18-9-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyMTUVCAVHQDKMRP-UHFFFAOYSA-N
XLogP1.77
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylhexoxy)acetic acid
CID 11651287
2-[2-[2-[1-(1-carboxypentoxy)hexan-2-yloxy]ethoxy]hexoxy]hexanoic acid
CID 10413292
2-(2-methylpentoxy)hexanoic acid
CID 103282733
(2S)-2-(2-ethylhexoxy)propanoic acid
CID 104875836
2-[2-[2-[1-(1-carboxynonoxy)decan-2-yloxy]ethoxy]decoxy]decanoic acid
CID 10010065
1-(2-ethylhexoxy)-3-methylbutan-2-one
CID 79396410
(2S)-2-methoxyhexanoic acid
CID 129373931
2-(3-nonoxypropoxy)hexanoic acid
CID 175887191
2-ethoxyicosanoic acid
CID 86106777
2-(2-ethylhexoxy)ethanethioamide
CID 43128235
2-(2-ethylhexoxy)-2-phosphorosoacetic acid
CID 175522090
2-(2-ethoxyethoxy)pentanoic acid
CID 83037428

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxymethoxymethyl)butoxy]hexanoic acid?
The IUPAC name of 2-[2-(carboxymethoxymethyl)butoxy]hexanoic acid (CID 19830333) is 2-[2-(carboxymethoxymethyl)butoxy]hexanoic acid.
What is the SMILES notation for 2-[2-(carboxymethoxymethyl)butoxy]hexanoic acid?
The canonical SMILES for 2-[2-(carboxymethoxymethyl)butoxy]hexanoic acid is CCCCC(OCC(CC)COCC(=O)O)C(=O)O.
What is the InChIKey of 2-[2-(carboxymethoxymethyl)butoxy]hexanoic acid?
The InChIKey is MTUVCAVHQDKMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6/c1-3-5-6-11(13(16)17)19-8-10(4-2)7-18-9-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[2-(carboxymethoxymethyl)butoxy]hexanoic acid?
2-[2-(carboxymethoxymethyl)butoxy]hexanoic acid has a molecular weight of 276.33 g/mol, XLogP of 1.77, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxymethoxymethyl)butoxy]hexanoic acid is sourced from PubChem (CID 19830333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).