3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid

C10H18O6 — CID 139938687

IUPAC3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid
SMILESCC(CC(=O)O)OCCOC(C)CC(=O)O
InChIInChI=1S/C10H18O6/c1-7(5-9(11)12)15-3-4-16-8(2)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyDRCONHNNAUSIHR-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.75
Rot. Bonds9

About 3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid

3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid (PubChem CID 139938687) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid.

Molecular Properties

Compound Name3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid
PubChem CID139938687
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid
SMILESCC(CC(=O)O)OCCOC(C)CC(=O)O
InChIInChI=1S/C10H18O6/c1-7(5-9(11)12)15-3-4-16-8(2)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyDRCONHNNAUSIHR-UHFFFAOYSA-N
XLogP0.75
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-aminoethoxy)butanoic acid
CID 146218165
3-ethoxybutanoic acid
CID 20508399
3-hexoxybutanoic acid
CID 43536148
(3R)-3-(methoxymethoxy)butanoic acid
CID 10487007
3-(2-phenylethoxy)butanoic acid
CID 43536152
(3S)-3-methoxybutanoic acid
CID 51374275
4-(2-methoxyethoxy)pentan-2-one
CID 64697954
2-(2-butan-2-yloxyethoxy)acetic acid
CID 58779511
4-(2-methoxyethoxy)pentanoic acid
CID 62215225
3-trimethylsilyloxybutanoic acid
CID 11008465
3-carbonofluoridoyloxybutanoic acid
CID 130374957

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid?
The IUPAC name of 3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid (CID 139938687) is 3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid.
What is the SMILES notation for 3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid?
The canonical SMILES for 3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid is CC(CC(=O)O)OCCOC(C)CC(=O)O.
What is the InChIKey of 3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid?
The InChIKey is DRCONHNNAUSIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6/c1-7(5-9(11)12)15-3-4-16-8(2)6-10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid?
3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid has a molecular weight of 234.25 g/mol, XLogP of 0.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid is sourced from PubChem (CID 139938687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).