4-hydroxy-3-pentanoyl-6-pentylpyran-2-one

C15H22O4 — CID 54736060

IUPAC4-hydroxy-3-pentanoyl-6-pentylpyran-2-one
SMILESCCCCCc1cc(O)c(C(=O)CCCC)c(=O)o1
InChIInChI=1S/C15H22O4/c1-3-5-7-8-11-10-13(17)14(15(18)19-11)12(16)9-6-4-2/h10,17H,3-9H2,1-2H3
InChIKeyUJYWXZXAIINARE-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.45
Rot. Bonds8

About 4-hydroxy-3-pentanoyl-6-pentylpyran-2-one

4-hydroxy-3-pentanoyl-6-pentylpyran-2-one (PubChem CID 54736060) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-hydroxy-3-pentanoyl-6-pentylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-3-pentanoyl-6-pentylpyran-2-one
PubChem CID54736060
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name4-hydroxy-3-pentanoyl-6-pentylpyran-2-one
SMILESCCCCCc1cc(O)c(C(=O)CCCC)c(=O)o1
InChIInChI=1S/C15H22O4/c1-3-5-7-8-11-10-13(17)14(15(18)19-11)12(16)9-6-4-2/h10,17H,3-9H2,1-2H3
InChIKeyUJYWXZXAIINARE-UHFFFAOYSA-N
XLogP3.45
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hexanoyl-4-hydroxy-6-pentylpyran-2-one
CID 54707176
6-heptyl-4-hydroxy-3-octanoylpyran-2-one
CID 54678949
3-hexanoyl-4-hydroxy-6-methylpyran-2-one
CID 54721834
3,6-dihexyl-4-hydroxypyran-2-one
CID 54690712
1-(2,4,6-trihydroxyphenyl)hexadecan-1-one
CID 23426751
1-(2,4,6-trihydroxy-3-octadecanoylphenyl)octadecan-1-one
CID 44571474
N-[(E)-5-[5-[(2E,4E)-2,5-dimethyldeca-2,4-dienoyl]-4-hydroxy-6-oxopyran-2-yl]pent-1-enyl]formamide
CID 163529812
6-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-6-oxohexanoic acid
CID 121003459
4-hydroxy-6-pentylpyran-2-one
CID 54686804
3,5-di(heptanoyl)-4,6-dihydroxypyran-2-one
CID 135721852
8-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-8-oxooctanoic acid
CID 71527239
1-(2,6-dihydroxy-4-methoxyphenyl)pentan-1-one
CID 71367224

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-pentanoyl-6-pentylpyran-2-one?
The IUPAC name of 4-hydroxy-3-pentanoyl-6-pentylpyran-2-one (CID 54736060) is 4-hydroxy-3-pentanoyl-6-pentylpyran-2-one.
What is the SMILES notation for 4-hydroxy-3-pentanoyl-6-pentylpyran-2-one?
The canonical SMILES for 4-hydroxy-3-pentanoyl-6-pentylpyran-2-one is CCCCCc1cc(O)c(C(=O)CCCC)c(=O)o1.
What is the InChIKey of 4-hydroxy-3-pentanoyl-6-pentylpyran-2-one?
The InChIKey is UJYWXZXAIINARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-3-5-7-8-11-10-13(17)14(15(18)19-11)12(16)9-6-4-2/h10,17H,3-9H2,1-2H3.
What are the key properties of 4-hydroxy-3-pentanoyl-6-pentylpyran-2-one?
4-hydroxy-3-pentanoyl-6-pentylpyran-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-pentanoyl-6-pentylpyran-2-one is sourced from PubChem (CID 54736060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).