7-[2-(dimethoxymethyl)-5-oxocyclopentyl]heptanoic acid

C15H26O5 — CID 21403609

IUPAC7-[2-(dimethoxymethyl)-5-oxocyclopentyl]heptanoic acid
SMILESCOC(OC)C1CCC(=O)C1CCCCCCC(=O)O
InChIInChI=1S/C15H26O5/c1-19-15(20-2)12-9-10-13(16)11(12)7-5-3-4-6-8-14(17)18/h11-12,15H,3-10H2,1-2H3,(H,17,18)
InChIKeyZLANDBJFFMSOIA-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.63
Rot. Bonds10

About 7-[2-(dimethoxymethyl)-5-oxocyclopentyl]heptanoic acid

7-[2-(dimethoxymethyl)-5-oxocyclopentyl]heptanoic acid (PubChem CID 21403609) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 7-[2-(dimethoxymethyl)-5-oxocyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[2-(dimethoxymethyl)-5-oxocyclopentyl]heptanoic acid
PubChem CID21403609
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name7-[2-(dimethoxymethyl)-5-oxocyclopentyl]heptanoic acid
SMILESCOC(OC)C1CCC(=O)C1CCCCCCC(=O)O
InChIInChI=1S/C15H26O5/c1-19-15(20-2)12-9-10-13(16)11(12)7-5-3-4-6-8-14(17)18/h11-12,15H,3-10H2,1-2H3,(H,17,18)
InChIKeyZLANDBJFFMSOIA-UHFFFAOYSA-N
XLogP2.63
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(dimethoxymethyl)-5-oxocyclopentyl]heptanoic acid?
The IUPAC name of 7-[2-(dimethoxymethyl)-5-oxocyclopentyl]heptanoic acid (CID 21403609) is 7-[2-(dimethoxymethyl)-5-oxocyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[2-(dimethoxymethyl)-5-oxocyclopentyl]heptanoic acid?
The canonical SMILES for 7-[2-(dimethoxymethyl)-5-oxocyclopentyl]heptanoic acid is COC(OC)C1CCC(=O)C1CCCCCCC(=O)O.
What is the InChIKey of 7-[2-(dimethoxymethyl)-5-oxocyclopentyl]heptanoic acid?
The InChIKey is ZLANDBJFFMSOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-19-15(20-2)12-9-10-13(16)11(12)7-5-3-4-6-8-14(17)18/h11-12,15H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 7-[2-(dimethoxymethyl)-5-oxocyclopentyl]heptanoic acid?
7-[2-(dimethoxymethyl)-5-oxocyclopentyl]heptanoic acid has a molecular weight of 286.37 g/mol, XLogP of 2.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(dimethoxymethyl)-5-oxocyclopentyl]heptanoic acid is sourced from PubChem (CID 21403609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).