methyl 7-(2-oxo-5-pentylcyclopentyl)heptanoate

C18H32O3 — CID 21420522

IUPACmethyl 7-(2-oxo-5-pentylcyclopentyl)heptanoate
SMILESCCCCCC1CCC(=O)C1CCCCCCC(=O)OC
InChIInChI=1S/C18H32O3/c1-3-4-7-10-15-13-14-17(19)16(15)11-8-5-6-9-12-18(20)21-2/h15-16H,3-14H2,1-2H3
InChIKeyLOLYPHBOLFEQNZ-UHFFFAOYSA-N
MW296.45 g/mol
LogP4.68
Rot. Bonds11

About methyl 7-(2-oxo-5-pentylcyclopentyl)heptanoate

methyl 7-(2-oxo-5-pentylcyclopentyl)heptanoate (PubChem CID 21420522) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is methyl 7-(2-oxo-5-pentylcyclopentyl)heptanoate.

Molecular Properties

Compound Namemethyl 7-(2-oxo-5-pentylcyclopentyl)heptanoate
PubChem CID21420522
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Namemethyl 7-(2-oxo-5-pentylcyclopentyl)heptanoate
SMILESCCCCCC1CCC(=O)C1CCCCCCC(=O)OC
InChIInChI=1S/C18H32O3/c1-3-4-7-10-15-13-14-17(19)16(15)11-8-5-6-9-12-18(20)21-2/h15-16H,3-14H2,1-2H3
InChIKeyLOLYPHBOLFEQNZ-UHFFFAOYSA-N
XLogP4.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(2-oxo-5-pentylcyclopentyl)heptanoate?
The IUPAC name of methyl 7-(2-oxo-5-pentylcyclopentyl)heptanoate (CID 21420522) is methyl 7-(2-oxo-5-pentylcyclopentyl)heptanoate.
What is the SMILES notation for methyl 7-(2-oxo-5-pentylcyclopentyl)heptanoate?
The canonical SMILES for methyl 7-(2-oxo-5-pentylcyclopentyl)heptanoate is CCCCCC1CCC(=O)C1CCCCCCC(=O)OC.
What is the InChIKey of methyl 7-(2-oxo-5-pentylcyclopentyl)heptanoate?
The InChIKey is LOLYPHBOLFEQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-3-4-7-10-15-13-14-17(19)16(15)11-8-5-6-9-12-18(20)21-2/h15-16H,3-14H2,1-2H3.
What are the key properties of methyl 7-(2-oxo-5-pentylcyclopentyl)heptanoate?
methyl 7-(2-oxo-5-pentylcyclopentyl)heptanoate has a molecular weight of 296.45 g/mol, XLogP of 4.68, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(2-oxo-5-pentylcyclopentyl)heptanoate is sourced from PubChem (CID 21420522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).