methyl 5-(3-hydroxy-5-oxo-2H-furan-4-yl)pentanoate

C10H14O5 — CID 54710027

IUPACmethyl 5-(3-hydroxy-5-oxo-2H-furan-4-yl)pentanoate
SMILESCOC(=O)CCCCC1=C(O)COC1=O
InChIInChI=1S/C10H14O5/c1-14-9(12)5-3-2-4-7-8(11)6-15-10(7)13/h11H,2-6H2,1H3
InChIKeyQUXPMWZZFAYMGZ-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.09
Rot. Bonds5

About methyl 5-(3-hydroxy-5-oxo-2H-furan-4-yl)pentanoate

methyl 5-(3-hydroxy-5-oxo-2H-furan-4-yl)pentanoate (PubChem CID 54710027) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 5-(3-hydroxy-5-oxo-2H-furan-4-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-(3-hydroxy-5-oxo-2H-furan-4-yl)pentanoate
PubChem CID54710027
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namemethyl 5-(3-hydroxy-5-oxo-2H-furan-4-yl)pentanoate
SMILESCOC(=O)CCCCC1=C(O)COC1=O
InChIInChI=1S/C10H14O5/c1-14-9(12)5-3-2-4-7-8(11)6-15-10(7)13/h11H,2-6H2,1H3
InChIKeyQUXPMWZZFAYMGZ-UHFFFAOYSA-N
XLogP1.09
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 5-(3-hydroxy-5-oxo-2H-furan-4-yl)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2(5H)Furanone, 3-butyl-4-hydroxy-
CID 54676120
2(5H)Furanone, 3-cyclohexyl-4-hydroxy-
CID 54676473
Ethyl 2-methylcyclopent-1-ene-1-carboxylate
CID 13416667
(2R)-4-hexadecanoyl-3-hydroxy-2-methyl-2H-furan-5-one
CID 54690056
(2S)-4-dodec-11-enyl-3-hydroxy-2-methyl-2H-furan-5-one
CID 54680603
Multicolosic acid
CID 122201306
4-Hydroxy-3-octyl-2(5H)-furanone
CID 54692150
(2S)-4-dodec-11-ynyl-3-hydroxy-2-methyl-2H-furan-5-one
CID 54685892
Ficifuranone A
CID 139584106
Asperfurandione A
CID 156582107
Asperfurandione B
CID 156582108
Multicolanic acid
CID 90474583

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-hydroxy-5-oxo-2H-furan-4-yl)pentanoate?
The IUPAC name of methyl 5-(3-hydroxy-5-oxo-2H-furan-4-yl)pentanoate (CID 54710027) is methyl 5-(3-hydroxy-5-oxo-2H-furan-4-yl)pentanoate.
What is the SMILES notation for methyl 5-(3-hydroxy-5-oxo-2H-furan-4-yl)pentanoate?
The canonical SMILES for methyl 5-(3-hydroxy-5-oxo-2H-furan-4-yl)pentanoate is COC(=O)CCCCC1=C(O)COC1=O.
What is the InChIKey of methyl 5-(3-hydroxy-5-oxo-2H-furan-4-yl)pentanoate?
The InChIKey is QUXPMWZZFAYMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-14-9(12)5-3-2-4-7-8(11)6-15-10(7)13/h11H,2-6H2,1H3.
What are the key properties of methyl 5-(3-hydroxy-5-oxo-2H-furan-4-yl)pentanoate?
methyl 5-(3-hydroxy-5-oxo-2H-furan-4-yl)pentanoate has a molecular weight of 214.22 g/mol, XLogP of 1.09, 5 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-2H-furan-4-yl)pentanoate is sourced from PubChem (CID 54710027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).