7-(2-formyl-5-hydroxycyclopentyl)heptanoic acid

C13H22O4 — CID 12719291

IUPAC7-(2-formyl-5-hydroxycyclopentyl)heptanoic acid
SMILESO=CC1CCC(O)C1CCCCCCC(=O)O
InChIInChI=1S/C13H22O4/c14-9-10-7-8-12(15)11(10)5-3-1-2-4-6-13(16)17/h9-12,15H,1-8H2,(H,16,17)
InChIKeyXLVLANYGAPINLP-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.00
Rot. Bonds8

About 7-(2-formyl-5-hydroxycyclopentyl)heptanoic acid

7-(2-formyl-5-hydroxycyclopentyl)heptanoic acid (PubChem CID 12719291) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 7-(2-formyl-5-hydroxycyclopentyl)heptanoic acid.

Molecular Properties

Compound Name7-(2-formyl-5-hydroxycyclopentyl)heptanoic acid
PubChem CID12719291
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name7-(2-formyl-5-hydroxycyclopentyl)heptanoic acid
SMILESO=CC1CCC(O)C1CCCCCCC(=O)O
InChIInChI=1S/C13H22O4/c14-9-10-7-8-12(15)11(10)5-3-1-2-4-6-13(16)17/h9-12,15H,1-8H2,(H,16,17)
InChIKeyXLVLANYGAPINLP-UHFFFAOYSA-N
XLogP2.00
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-formyl-5-hydroxycyclopentyl)heptanoic acid?
The IUPAC name of 7-(2-formyl-5-hydroxycyclopentyl)heptanoic acid (CID 12719291) is 7-(2-formyl-5-hydroxycyclopentyl)heptanoic acid.
What is the SMILES notation for 7-(2-formyl-5-hydroxycyclopentyl)heptanoic acid?
The canonical SMILES for 7-(2-formyl-5-hydroxycyclopentyl)heptanoic acid is O=CC1CCC(O)C1CCCCCCC(=O)O.
What is the InChIKey of 7-(2-formyl-5-hydroxycyclopentyl)heptanoic acid?
The InChIKey is XLVLANYGAPINLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c14-9-10-7-8-12(15)11(10)5-3-1-2-4-6-13(16)17/h9-12,15H,1-8H2,(H,16,17).
What are the key properties of 7-(2-formyl-5-hydroxycyclopentyl)heptanoic acid?
7-(2-formyl-5-hydroxycyclopentyl)heptanoic acid has a molecular weight of 242.31 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-formyl-5-hydroxycyclopentyl)heptanoic acid is sourced from PubChem (CID 12719291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).