ethyl 2-oxo-4-(2-oxopentyl)-5-propyloxolane-3-carboxylate

C15H24O5 — CID 73121571

IUPACethyl 2-oxo-4-(2-oxopentyl)-5-propyloxolane-3-carboxylate
SMILESCCCC(=O)CC1C(CCC)OC(=O)C1C(=O)OCC
InChIInChI=1S/C15H24O5/c1-4-7-10(16)9-11-12(8-5-2)20-15(18)13(11)14(17)19-6-3/h11-13H,4-9H2,1-3H3
InChIKeyFRSNMURDZCBMBN-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.27
Rot. Bonds8

About ethyl 2-oxo-4-(2-oxopentyl)-5-propyloxolane-3-carboxylate

ethyl 2-oxo-4-(2-oxopentyl)-5-propyloxolane-3-carboxylate (PubChem CID 73121571) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is ethyl 2-oxo-4-(2-oxopentyl)-5-propyloxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-4-(2-oxopentyl)-5-propyloxolane-3-carboxylate
PubChem CID73121571
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Nameethyl 2-oxo-4-(2-oxopentyl)-5-propyloxolane-3-carboxylate
SMILESCCCC(=O)CC1C(CCC)OC(=O)C1C(=O)OCC
InChIInChI=1S/C15H24O5/c1-4-7-10(16)9-11-12(8-5-2)20-15(18)13(11)14(17)19-6-3/h11-13H,4-9H2,1-3H3
InChIKeyFRSNMURDZCBMBN-UHFFFAOYSA-N
XLogP2.27
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Cmldbu00002581
CID 358296
Dimethyl (3-oxo-2-pentylcyclopentyl)malonate
CID 103546
Virginiamycin butanolide C
CID 131000
2(3H)-Furanone, 3-acetyl-5-butyldihydro-
CID 3084764
2-Carboxy-4-dodecanolide
CID 85931447
2-Oxo-1-oxa-spiro[4.4]nonane-3,4-dicarboxylic acid diethyl ester
CID 2836711
2-Oxo-1-oxa-spiro[4.5]decane-3,4-dicarboxylic acid diethyl ester
CID 2836712
Dimethyl (R)-2-(3-oxocyclohexyl)malonate
CID 10082482
trans-2-(6-Methylheptanol-1-YL)3-hydroxymethyl-4butanolide
CID 134812
(3R,4R)-3-[(1S)-1-hydroxy-4-methylpentyl]-4-(hydroxymethyl)oxolan-2-one
CID 101685673
A-Factor
CID 119102
(2S,3S,4S)-4-Methyl-5-oxo-2-pentyloxolane-3-carboxylic acid
CID 184105

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-4-(2-oxopentyl)-5-propyloxolane-3-carboxylate?
The IUPAC name of ethyl 2-oxo-4-(2-oxopentyl)-5-propyloxolane-3-carboxylate (CID 73121571) is ethyl 2-oxo-4-(2-oxopentyl)-5-propyloxolane-3-carboxylate.
What is the SMILES notation for ethyl 2-oxo-4-(2-oxopentyl)-5-propyloxolane-3-carboxylate?
The canonical SMILES for ethyl 2-oxo-4-(2-oxopentyl)-5-propyloxolane-3-carboxylate is CCCC(=O)CC1C(CCC)OC(=O)C1C(=O)OCC.
What is the InChIKey of ethyl 2-oxo-4-(2-oxopentyl)-5-propyloxolane-3-carboxylate?
The InChIKey is FRSNMURDZCBMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-4-7-10(16)9-11-12(8-5-2)20-15(18)13(11)14(17)19-6-3/h11-13H,4-9H2,1-3H3.
What are the key properties of ethyl 2-oxo-4-(2-oxopentyl)-5-propyloxolane-3-carboxylate?
ethyl 2-oxo-4-(2-oxopentyl)-5-propyloxolane-3-carboxylate has a molecular weight of 284.35 g/mol, XLogP of 2.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-4-(2-oxopentyl)-5-propyloxolane-3-carboxylate is sourced from PubChem (CID 73121571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).