(3-oxo-2-pentylcyclopentyl) 2-methylpropanoate

C14H24O3 — CID 140557115

IUPAC(3-oxo-2-pentylcyclopentyl) 2-methylpropanoate
SMILESCCCCCC1C(=O)CCC1OC(=O)C(C)C
InChIInChI=1S/C14H24O3/c1-4-5-6-7-11-12(15)8-9-13(11)17-14(16)10(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyMTSAJAOPWQBAFJ-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.11
Rot. Bonds6

About (3-oxo-2-pentylcyclopentyl) 2-methylpropanoate

(3-oxo-2-pentylcyclopentyl) 2-methylpropanoate (PubChem CID 140557115) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (3-oxo-2-pentylcyclopentyl) 2-methylpropanoate.

Molecular Properties

Compound Name(3-oxo-2-pentylcyclopentyl) 2-methylpropanoate
PubChem CID140557115
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(3-oxo-2-pentylcyclopentyl) 2-methylpropanoate
SMILESCCCCCC1C(=O)CCC1OC(=O)C(C)C
InChIInChI=1S/C14H24O3/c1-4-5-6-7-11-12(15)8-9-13(11)17-14(16)10(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyMTSAJAOPWQBAFJ-UHFFFAOYSA-N
XLogP3.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.11
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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Related Compounds

(3-oxo-2-pentylcyclopentyl) pentanoate
CID 91315520
2-methyl-2-(3-oxo-2-pentylcyclopentyl)propanedioic acid
CID 172723721
ethyl 2-(3-oxo-2-pentylcyclopentyl)acetate
CID 15452634
3-oxo-2-pentylcyclopentane-1-carboxylate
CID 21443730
pentyl 2-(3-oxo-2-pentylcyclopentyl)acetate
CID 54471337
2-(2-butyl-3-oxocyclopentyl)propanoic acid
CID 154943990
propan-2-yl 7-[(1R,2S)-2-hexyl-5-oxocyclopentyl]heptanoate
CID 22797039
ethane;3-(2-oxopropyl)-2-pentylcyclopentan-1-one
CID 90787158
butyl 7-[(1R,2S)-2-octyl-5-oxocyclopentyl]heptanoate
CID 22797043
ethyl 7-[(1R,2S)-2-octyl-5-oxocyclopentyl]-2-oxoheptanoate
CID 54107228
ethane-1,2-diol;methyl 2-[(1S,2S)-3-oxo-2-pentylcyclopentyl]acetate
CID 154944035
ethyl 7-[(1R,5R)-2-oxo-5-propan-2-ylcyclopentyl]heptanoate
CID 22797030

Frequently Asked Questions

What is the IUPAC name of (3-oxo-2-pentylcyclopentyl) 2-methylpropanoate?
The IUPAC name of (3-oxo-2-pentylcyclopentyl) 2-methylpropanoate (CID 140557115) is (3-oxo-2-pentylcyclopentyl) 2-methylpropanoate.
What is the SMILES notation for (3-oxo-2-pentylcyclopentyl) 2-methylpropanoate?
The canonical SMILES for (3-oxo-2-pentylcyclopentyl) 2-methylpropanoate is CCCCCC1C(=O)CCC1OC(=O)C(C)C.
What is the InChIKey of (3-oxo-2-pentylcyclopentyl) 2-methylpropanoate?
The InChIKey is MTSAJAOPWQBAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-4-5-6-7-11-12(15)8-9-13(11)17-14(16)10(2)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of (3-oxo-2-pentylcyclopentyl) 2-methylpropanoate?
(3-oxo-2-pentylcyclopentyl) 2-methylpropanoate has a molecular weight of 240.34 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-2-pentylcyclopentyl) 2-methylpropanoate is sourced from PubChem (CID 140557115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).