4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid

C10H16O5 — CID 116774915

IUPAC4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid
SMILESCOC1(C(=O)CCC(=O)O)CCOCC1
InChIInChI=1S/C10H16O5/c1-14-10(4-6-15-7-5-10)8(11)2-3-9(12)13/h2-7H2,1H3,(H,12,13)
InChIKeyXLNKOMCBTITMLI-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.62
Rot. Bonds5

About 4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid

4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid (PubChem CID 116774915) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid
PubChem CID116774915
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid
SMILESCOC1(C(=O)CCC(=O)O)CCOCC1
InChIInChI=1S/C10H16O5/c1-14-10(4-6-15-7-5-10)8(11)2-3-9(12)13/h2-7H2,1H3,(H,12,13)
InChIKeyXLNKOMCBTITMLI-UHFFFAOYSA-N
XLogP0.62
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyoxan-4-yl)hexan-1-one
CID 116748600
1-(4-methoxyoxan-4-yl)-4,4-dimethylpentan-1-one
CID 116748551
1-(4-methoxyoxan-4-yl)pent-4-en-1-one
CID 116748516
1-(4-methoxyoxan-4-yl)-2-(oxan-4-yl)ethanone
CID 116748604
1-(4-methoxyoxan-4-yl)pent-3-yn-1-one
CID 116748548
1-(4-methoxyoxan-4-yl)-2-propoxyethanone
CID 116748657
2-(4-methoxyoxan-4-yl)acetic acid
CID 84654866
1-(4-ethoxyoxan-4-yl)-4-methoxybutan-1-one
CID 114854416
4-ethoxyoxane-4-carboxylic acid
CID 78969464
ethyl 4-(4-ethoxyoxan-4-yl)-4-oxobutanoate
CID 116774928
butanedioic acid;oxolane
CID 70210247
1-(4-propoxyoxan-4-yl)propan-1-one
CID 83226055

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid (CID 116774915) is 4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid is COC1(C(=O)CCC(=O)O)CCOCC1.
What is the InChIKey of 4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid?
The InChIKey is XLNKOMCBTITMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-14-10(4-6-15-7-5-10)8(11)2-3-9(12)13/h2-7H2,1H3,(H,12,13).
What are the key properties of 4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid?
4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid has a molecular weight of 216.23 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyoxan-4-yl)-4-oxobutanoic acid is sourced from PubChem (CID 116774915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).