(3R)-3-(methoxymethoxy)butanoic acid

C6H12O4 — CID 10487007

IUPAC(3R)-3-(methoxymethoxy)butanoic acid
SMILESCOCO[C@H](C)CC(=O)O
InChIInChI=1S/C6H12O4/c1-5(3-6(7)8)10-4-9-2/h5H,3-4H2,1-2H3,(H,7,8)/t5-/m1/s1
InChIKeyDGRBILULKINLRX-RXMQYKEDSA-N
MW148.16 g/mol
LogP0.47
Rot. Bonds5

About (3R)-3-(methoxymethoxy)butanoic acid

(3R)-3-(methoxymethoxy)butanoic acid (PubChem CID 10487007) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (3R)-3-(methoxymethoxy)butanoic acid.

Molecular Properties

Compound Name(3R)-3-(methoxymethoxy)butanoic acid
PubChem CID10487007
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(3R)-3-(methoxymethoxy)butanoic acid
SMILESCOCO[C@H](C)CC(=O)O
InChIInChI=1S/C6H12O4/c1-5(3-6(7)8)10-4-9-2/h5H,3-4H2,1-2H3,(H,7,8)/t5-/m1/s1
InChIKeyDGRBILULKINLRX-RXMQYKEDSA-N
XLogP0.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid
CID 139938687
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
methyl 4-(methoxymethoxy)-2-oxopentanoate
CID 10655279
3-ethoxybutanoic acid
CID 20508399
(3S)-3-methoxybutanoic acid
CID 51374275
(2R)-2-(methoxymethoxy)propanoic acid
CID 10844423
3-(2-aminoethoxy)butanoic acid
CID 146218165
(2R)-2-(methoxymethoxy)propan-1-ol
CID 10975472
3-methylbutanoic acid
CID 20849036
(2R,6S)-2,6-bis(methoxymethoxy)non-8-en-4-one
CID 56946981
3-hexoxybutanoic acid
CID 43536148
argon;3-methylbutanoic acid
CID 158006921

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethoxy)butanoic acid?
The IUPAC name of (3R)-3-(methoxymethoxy)butanoic acid (CID 10487007) is (3R)-3-(methoxymethoxy)butanoic acid.
What is the SMILES notation for (3R)-3-(methoxymethoxy)butanoic acid?
The canonical SMILES for (3R)-3-(methoxymethoxy)butanoic acid is COCO[C@H](C)CC(=O)O.
What is the InChIKey of (3R)-3-(methoxymethoxy)butanoic acid?
The InChIKey is DGRBILULKINLRX-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12O4/c1-5(3-6(7)8)10-4-9-2/h5H,3-4H2,1-2H3,(H,7,8)/t5-/m1/s1.
What are the key properties of (3R)-3-(methoxymethoxy)butanoic acid?
(3R)-3-(methoxymethoxy)butanoic acid has a molecular weight of 148.16 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethoxy)butanoic acid is sourced from PubChem (CID 10487007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).