3-ethyl-2-hydroxy-7-methyl-4-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one

C14H20O4 — CID 13164183

IUPAC3-ethyl-2-hydroxy-7-methyl-4-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
SMILESCCCC1c2c(cc(C)oc2=O)OC(O)C1CC
InChIInChI=1S/C14H20O4/c1-4-6-10-9(5-2)13(15)18-11-7-8(3)17-14(16)12(10)11/h7,9-10,13,15H,4-6H2,1-3H3
InChIKeyLPNJNCVTKLEQFJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.57
Rot. Bonds3

About 3-ethyl-2-hydroxy-7-methyl-4-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one

3-ethyl-2-hydroxy-7-methyl-4-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one (PubChem CID 13164183) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-7-methyl-4-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-7-methyl-4-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
PubChem CID13164183
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name3-ethyl-2-hydroxy-7-methyl-4-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
SMILESCCCC1c2c(cc(C)oc2=O)OC(O)C1CC
InChIInChI=1S/C14H20O4/c1-4-6-10-9(5-2)13(15)18-11-7-8(3)17-14(16)12(10)11/h7,9-10,13,15H,4-6H2,1-3H3
InChIKeyLPNJNCVTKLEQFJ-UHFFFAOYSA-N
XLogP2.57
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(2R,6S,7R)-7-hydroxy-2,11-dimethyl-8,12-dioxatricyclo[7.4.0.02,6]trideca-1(9),3,10-triene-5,13-dione
CID 177650346
ethyl 2-hydroxy-3-prop-2-enyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylate
CID 163269520
(3S,7S)-12-methyl-2,4,11-trioxatricyclo[7.4.0.03,7]trideca-1(9),12-dien-10-one
CID 139093734
2-hydroxy-7-methyl-4-nonyl-3-octyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
CID 13164186
2-hydroxy-4,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
CID 13164187
4-ethyl-2-hydroxy-3,7-dimethyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
CID 21792861
(6-Hydroxy-6-methoxyhexyl) 4-propoxycyclohexa-1,3-diene-1-carboxylate
CID 144971658
4-(1-Hydroxyethoxy)-2,3,5,6-tetrahydronaphthalene-1-carboxylic acid
CID 156468179
2-hydroxy-2,4,4,7-tetramethyl-3H-pyrano[4,3-b]pyran-5-one
CID 13396152
ethyl (3R,4R)-4-butyl-2-hydroxy-6-methyl-3-non-8-enyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 24938715
(3R,4R)-3-ethyl-7-methyl-4-propyl-3,4-dihydropyrano[3,2-c]pyran-2,5-dione
CID 60172627
(3R,7R)-12-methyl-2,4,11-trioxatricyclo[7.4.0.03,7]trideca-1(9),12-dien-10-one
CID 101905767

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-7-methyl-4-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
The IUPAC name of 3-ethyl-2-hydroxy-7-methyl-4-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one (CID 13164183) is 3-ethyl-2-hydroxy-7-methyl-4-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one.
What is the SMILES notation for 3-ethyl-2-hydroxy-7-methyl-4-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
The canonical SMILES for 3-ethyl-2-hydroxy-7-methyl-4-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one is CCCC1c2c(cc(C)oc2=O)OC(O)C1CC.
What is the InChIKey of 3-ethyl-2-hydroxy-7-methyl-4-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
The InChIKey is LPNJNCVTKLEQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-4-6-10-9(5-2)13(15)18-11-7-8(3)17-14(16)12(10)11/h7,9-10,13,15H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-2-hydroxy-7-methyl-4-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
3-ethyl-2-hydroxy-7-methyl-4-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one has a molecular weight of 252.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxy-7-methyl-4-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one is sourced from PubChem (CID 13164183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).