4,6-dihydroxy-3,5-di(pentanoyl)pyran-2-one

C15H20O6 — CID 135736212

IUPAC4,6-dihydroxy-3,5-di(pentanoyl)pyran-2-one
SMILESCCCCC(=O)c1c(O)oc(=O)c(C(=O)CCCC)c1O
InChIInChI=1S/C15H20O6/c1-3-5-7-9(16)11-13(18)12(10(17)8-6-4-2)15(20)21-14(11)19/h18-19H,3-8H2,1-2H3
InChIKeyHTZYEFARSLABJH-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.80
Rot. Bonds8

About 4,6-dihydroxy-3,5-di(pentanoyl)pyran-2-one

4,6-dihydroxy-3,5-di(pentanoyl)pyran-2-one (PubChem CID 135736212) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4,6-dihydroxy-3,5-di(pentanoyl)pyran-2-one.

Molecular Properties

Compound Name4,6-dihydroxy-3,5-di(pentanoyl)pyran-2-one
PubChem CID135736212
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name4,6-dihydroxy-3,5-di(pentanoyl)pyran-2-one
SMILESCCCCC(=O)c1c(O)oc(=O)c(C(=O)CCCC)c1O
InChIInChI=1S/C15H20O6/c1-3-5-7-9(16)11-13(18)12(10(17)8-6-4-2)15(20)21-14(11)19/h18-19H,3-8H2,1-2H3
InChIKeyHTZYEFARSLABJH-UHFFFAOYSA-N
XLogP2.80
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dihydroxy-3,5-di(pentanoyl)pyran-2-one?
The IUPAC name of 4,6-dihydroxy-3,5-di(pentanoyl)pyran-2-one (CID 135736212) is 4,6-dihydroxy-3,5-di(pentanoyl)pyran-2-one.
What is the SMILES notation for 4,6-dihydroxy-3,5-di(pentanoyl)pyran-2-one?
The canonical SMILES for 4,6-dihydroxy-3,5-di(pentanoyl)pyran-2-one is CCCCC(=O)c1c(O)oc(=O)c(C(=O)CCCC)c1O.
What is the InChIKey of 4,6-dihydroxy-3,5-di(pentanoyl)pyran-2-one?
The InChIKey is HTZYEFARSLABJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c1-3-5-7-9(16)11-13(18)12(10(17)8-6-4-2)15(20)21-14(11)19/h18-19H,3-8H2,1-2H3.
What are the key properties of 4,6-dihydroxy-3,5-di(pentanoyl)pyran-2-one?
4,6-dihydroxy-3,5-di(pentanoyl)pyran-2-one has a molecular weight of 296.32 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydroxy-3,5-di(pentanoyl)pyran-2-one is sourced from PubChem (CID 135736212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).