methyl 5-[3-hydroxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentyl]pentanoate

C14H20O5 — CID 15928866

IUPACmethyl 5-[3-hydroxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentyl]pentanoate
SMILESCOC(=O)CCCCC1C(=O)CC(O)C1/C=C/C=O
InChIInChI=1S/C14H20O5/c1-19-14(18)7-3-2-5-10-11(6-4-8-15)13(17)9-12(10)16/h4,6,8,10-11,13,17H,2-3,5,7,9H2,1H3/b6-4+
InChIKeyMPROFQKOIIEVNG-GQCTYLIASA-N
MW268.31 g/mol
LogP1.04
Rot. Bonds7

About methyl 5-[3-hydroxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentyl]pentanoate

methyl 5-[3-hydroxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentyl]pentanoate (PubChem CID 15928866) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 5-[3-hydroxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentyl]pentanoate.

Molecular Properties

Compound Namemethyl 5-[3-hydroxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentyl]pentanoate
PubChem CID15928866
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Namemethyl 5-[3-hydroxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentyl]pentanoate
SMILESCOC(=O)CCCCC1C(=O)CC(O)C1/C=C/C=O
InChIInChI=1S/C14H20O5/c1-19-14(18)7-3-2-5-10-11(6-4-8-15)13(17)9-12(10)16/h4,6,8,10-11,13,17H,2-3,5,7,9H2,1H3/b6-4+
InChIKeyMPROFQKOIIEVNG-GQCTYLIASA-N
XLogP1.04
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 7-[(1R,2S,3R)-3-hydroxy-2-(8-hydroxyoct-1-enyl)-5-oxocyclopentyl]heptanoate
CID 70628523
methyl 7-[3-hydroxy-2-(3-hydroxyhex-1-enyl)-5-oxocyclopentyl]heptanoate
CID 54463929
methyl 7-[(1R,2S,3R)-3-hydroxy-5-oxo-2-[(E)-2-pentylsulfanylethenyl]cyclopentyl]heptanoate
CID 10451829
methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,4R)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]heptanoate
CID 5311035
methyl 7-[3-hydroxy-2-[(E,4S)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate
CID 59146006
methyl 7-[(1R,2R,3R)-3-hydroxy-2-(4-hydroxy-4-methylnon-1-enyl)-5-oxocyclopentyl]heptanoate
CID 90883810
methyl 7-[(1R,2R,3R)-2-[(3R)-3-(3-ethyl-1-methylcyclobutyl)-3-hydroxyprop-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanoate
CID 54208341
methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-3-(7-hydroxy-7-bicyclo[4.2.0]octanyl)prop-1-enyl]-5-oxocyclopentyl]heptanoate
CID 70377546
methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-3-(6-hydroxy-6-bicyclo[3.2.0]heptanyl)prop-1-enyl]-5-oxocyclopentyl]heptanoate
CID 70377539
methyl 7-[(1S,2S,3S)-2-formyl-5-oxo-3-(2-oxopropanoyloxy)cyclopentyl]heptanoate
CID 88825250
7-[(1R,2R,3R)-2-formyl-3-hydroxy-5-oxocyclopentyl]heptanoic acid
CID 18594734
ethyl 7-[(1R,2R,3S)-3-hydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoate
CID 164944014

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-hydroxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentyl]pentanoate?
The IUPAC name of methyl 5-[3-hydroxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentyl]pentanoate (CID 15928866) is methyl 5-[3-hydroxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentyl]pentanoate.
What is the SMILES notation for methyl 5-[3-hydroxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentyl]pentanoate?
The canonical SMILES for methyl 5-[3-hydroxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentyl]pentanoate is COC(=O)CCCCC1C(=O)CC(O)C1/C=C/C=O.
What is the InChIKey of methyl 5-[3-hydroxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentyl]pentanoate?
The InChIKey is MPROFQKOIIEVNG-GQCTYLIASA-N. The full InChI is InChI=1S/C14H20O5/c1-19-14(18)7-3-2-5-10-11(6-4-8-15)13(17)9-12(10)16/h4,6,8,10-11,13,17H,2-3,5,7,9H2,1H3/b6-4+.
What are the key properties of methyl 5-[3-hydroxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentyl]pentanoate?
methyl 5-[3-hydroxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentyl]pentanoate has a molecular weight of 268.31 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-hydroxy-5-oxo-2-[(E)-3-oxoprop-1-enyl]cyclopentyl]pentanoate is sourced from PubChem (CID 15928866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).