methyl 7-(2-formyl-5-hydroxycyclopentyl)heptanoate

C14H24O4 — CID 24974172

IUPACmethyl 7-(2-formyl-5-hydroxycyclopentyl)heptanoate
SMILESCOC(=O)CCCCCCC1C(O)CCC1C=O
InChIInChI=1S/C14H24O4/c1-18-14(17)7-5-3-2-4-6-12-11(10-15)8-9-13(12)16/h10-13,16H,2-9H2,1H3
InChIKeyIBIXUFDDHRQKNR-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.09
Rot. Bonds8

About methyl 7-(2-formyl-5-hydroxycyclopentyl)heptanoate

methyl 7-(2-formyl-5-hydroxycyclopentyl)heptanoate (PubChem CID 24974172) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is methyl 7-(2-formyl-5-hydroxycyclopentyl)heptanoate.

Molecular Properties

Compound Namemethyl 7-(2-formyl-5-hydroxycyclopentyl)heptanoate
PubChem CID24974172
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namemethyl 7-(2-formyl-5-hydroxycyclopentyl)heptanoate
SMILESCOC(=O)CCCCCCC1C(O)CCC1C=O
InChIInChI=1S/C14H24O4/c1-18-14(17)7-5-3-2-4-6-12-11(10-15)8-9-13(12)16/h10-13,16H,2-9H2,1H3
InChIKeyIBIXUFDDHRQKNR-UHFFFAOYSA-N
XLogP2.09
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 methyl 7-(2-formyl-5-hydroxycyclopentyl)heptanoate?
The IUPAC name of methyl 7-(2-formyl-5-hydroxycyclopentyl)heptanoate (CID 24974172) is methyl 7-(2-formyl-5-hydroxycyclopentyl)heptanoate.
What is the SMILES notation for methyl 7-(2-formyl-5-hydroxycyclopentyl)heptanoate?
The canonical SMILES for methyl 7-(2-formyl-5-hydroxycyclopentyl)heptanoate is COC(=O)CCCCCCC1C(O)CCC1C=O.
What is the InChIKey of methyl 7-(2-formyl-5-hydroxycyclopentyl)heptanoate?
The InChIKey is IBIXUFDDHRQKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-18-14(17)7-5-3-2-4-6-12-11(10-15)8-9-13(12)16/h10-13,16H,2-9H2,1H3.
What are the key properties of methyl 7-(2-formyl-5-hydroxycyclopentyl)heptanoate?
methyl 7-(2-formyl-5-hydroxycyclopentyl)heptanoate has a molecular weight of 256.34 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(2-formyl-5-hydroxycyclopentyl)heptanoate is sourced from PubChem (CID 24974172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).