3-[(Z)-2-ethyl-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)hex-1-enyl]-4-hydroxy-6-methylpyran-2-one

C20H24O6 — CID 54696255

IUPAC3-[(Z)-2-ethyl-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)hex-1-enyl]-4-hydroxy-6-methylpyran-2-one
SMILESCCCC(/C(=C\c1c(O)cc(C)oc1=O)CC)c1c(O)cc(C)oc1=O
InChIInChI=1S/C20H24O6/c1-5-7-14(18-17(22)9-12(4)26-20(18)24)13(6-2)10-15-16(21)8-11(3)25-19(15)23/h8-10,14,21-22H,5-7H2,1-4H3/b13-10-
InChIKeyIZNYDMXDHNFDMP-RAXLEYEMSA-N
MW360.41 g/mol
LogP4.00
Rot. Bonds6

About 3-[(Z)-2-ethyl-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)hex-1-enyl]-4-hydroxy-6-methylpyran-2-one

3-[(Z)-2-ethyl-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)hex-1-enyl]-4-hydroxy-6-methylpyran-2-one (PubChem CID 54696255) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-[(Z)-2-ethyl-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)hex-1-enyl]-4-hydroxy-6-methylpyran-2-one.

Molecular Properties

Compound Name3-[(Z)-2-ethyl-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)hex-1-enyl]-4-hydroxy-6-methylpyran-2-one
PubChem CID54696255
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name3-[(Z)-2-ethyl-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)hex-1-enyl]-4-hydroxy-6-methylpyran-2-one
SMILESCCCC(/C(=C\c1c(O)cc(C)oc1=O)CC)c1c(O)cc(C)oc1=O
InChIInChI=1S/C20H24O6/c1-5-7-14(18-17(22)9-12(4)26-20(18)24)13(6-2)10-15-16(21)8-11(3)25-19(15)23/h8-10,14,21-22H,5-7H2,1-4H3/b13-10-
InChIKeyIZNYDMXDHNFDMP-RAXLEYEMSA-N
XLogP4.00
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(Z)-2-ethyl-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)hex-1-enyl]-4-hydroxy-6-methylpyran-2-one with MolForge

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Related Compounds

Pogostone
CID 54695756
Sch 419560
CID 54710733
3-Hexyl-6-pentyl-4-hydroxyl-2h-pyran-2-one
CID 54678993
Violapyrone B
CID 71607042
Presuficidin B
CID 71607046
Violapyrone D
CID 72947853
3-(3-Cyclohexylpropanoyl)-4-hydroxy-6-methylpyran-2-one
CID 85824605
Violapyrone A
CID 72947654
3-Heptyl-6-hexyl-4-hydroxypyran-2-one
CID 137632123
3-Butyl-4-hydroxy-6-propylpyran-2-one
CID 137636218
6-Butyl-4-hydroxy-3-pentylpyran-2-one
CID 137647295
3-(Cyclohexanecarbonyl)-4-hydroxy-6-methyl-2H-pyran-2-one
CID 54707318

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-ethyl-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)hex-1-enyl]-4-hydroxy-6-methylpyran-2-one?
The IUPAC name of 3-[(Z)-2-ethyl-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)hex-1-enyl]-4-hydroxy-6-methylpyran-2-one (CID 54696255) is 3-[(Z)-2-ethyl-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)hex-1-enyl]-4-hydroxy-6-methylpyran-2-one.
What is the SMILES notation for 3-[(Z)-2-ethyl-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)hex-1-enyl]-4-hydroxy-6-methylpyran-2-one?
The canonical SMILES for 3-[(Z)-2-ethyl-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)hex-1-enyl]-4-hydroxy-6-methylpyran-2-one is CCCC(/C(=C\c1c(O)cc(C)oc1=O)CC)c1c(O)cc(C)oc1=O.
What is the InChIKey of 3-[(Z)-2-ethyl-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)hex-1-enyl]-4-hydroxy-6-methylpyran-2-one?
The InChIKey is IZNYDMXDHNFDMP-RAXLEYEMSA-N. The full InChI is InChI=1S/C20H24O6/c1-5-7-14(18-17(22)9-12(4)26-20(18)24)13(6-2)10-15-16(21)8-11(3)25-19(15)23/h8-10,14,21-22H,5-7H2,1-4H3/b13-10-.
What are the key properties of 3-[(Z)-2-ethyl-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)hex-1-enyl]-4-hydroxy-6-methylpyran-2-one?
3-[(Z)-2-ethyl-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)hex-1-enyl]-4-hydroxy-6-methylpyran-2-one has a molecular weight of 360.41 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-ethyl-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)hex-1-enyl]-4-hydroxy-6-methylpyran-2-one is sourced from PubChem (CID 54696255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).