4-methoxy-2-(1-methoxy-1-oxopropan-2-yl)pentanoic acid

C10H18O5 — CID 54293863

IUPAC4-methoxy-2-(1-methoxy-1-oxopropan-2-yl)pentanoic acid
SMILESCOC(=O)C(C)C(CC(C)OC)C(=O)O
InChIInChI=1S/C10H18O5/c1-6(14-3)5-8(9(11)12)7(2)10(13)15-4/h6-8H,5H2,1-4H3,(H,11,12)
InChIKeyRZKLNOVJBMDXOC-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.92
Rot. Bonds6

About 4-methoxy-2-(1-methoxy-1-oxopropan-2-yl)pentanoic acid

4-methoxy-2-(1-methoxy-1-oxopropan-2-yl)pentanoic acid (PubChem CID 54293863) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-methoxy-2-(1-methoxy-1-oxopropan-2-yl)pentanoic acid.

Molecular Properties

Compound Name4-methoxy-2-(1-methoxy-1-oxopropan-2-yl)pentanoic acid
PubChem CID54293863
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name4-methoxy-2-(1-methoxy-1-oxopropan-2-yl)pentanoic acid
SMILESCOC(=O)C(C)C(CC(C)OC)C(=O)O
InChIInChI=1S/C10H18O5/c1-6(14-3)5-8(9(11)12)7(2)10(13)15-4/h6-8H,5H2,1-4H3,(H,11,12)
InChIKeyRZKLNOVJBMDXOC-UHFFFAOYSA-N
XLogP0.92
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-Hydroxy-cyclopentane-1,2-dicarboxylic acid, dimethyl ester
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2-(2,5-Dimethyloxolan-3-yl)acetic acid
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2-Carboxymethyl-4-pentanolide
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(1-methoxy-1-oxopropan-2-yl)pentanoic acid?
The IUPAC name of 4-methoxy-2-(1-methoxy-1-oxopropan-2-yl)pentanoic acid (CID 54293863) is 4-methoxy-2-(1-methoxy-1-oxopropan-2-yl)pentanoic acid.
What is the SMILES notation for 4-methoxy-2-(1-methoxy-1-oxopropan-2-yl)pentanoic acid?
The canonical SMILES for 4-methoxy-2-(1-methoxy-1-oxopropan-2-yl)pentanoic acid is COC(=O)C(C)C(CC(C)OC)C(=O)O.
What is the InChIKey of 4-methoxy-2-(1-methoxy-1-oxopropan-2-yl)pentanoic acid?
The InChIKey is RZKLNOVJBMDXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-6(14-3)5-8(9(11)12)7(2)10(13)15-4/h6-8H,5H2,1-4H3,(H,11,12).
What are the key properties of 4-methoxy-2-(1-methoxy-1-oxopropan-2-yl)pentanoic acid?
4-methoxy-2-(1-methoxy-1-oxopropan-2-yl)pentanoic acid has a molecular weight of 218.25 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(1-methoxy-1-oxopropan-2-yl)pentanoic acid is sourced from PubChem (CID 54293863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).