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

C11H14O4 — CID 102388428

IUPAC(4R)-4-ethyl-2-hydroxy-7-methyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
SMILESCC[C@@H]1CC(O)Oc2cc(C)oc(=O)c21
InChIInChI=1S/C11H14O4/c1-3-7-5-9(12)15-8-4-6(2)14-11(13)10(7)8/h4,7,9,12H,3,5H2,1-2H3/t7-,9?/m1/s1
InChIKeyBLSPASYAJFSCHT-YOXFSPIKSA-N
MW210.23 g/mol
LogP1.54
Rot. Bonds1

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

(4R)-4-ethyl-2-hydroxy-7-methyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one (PubChem CID 102388428) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (4R)-4-ethyl-2-hydroxy-7-methyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one.

Molecular Properties

Compound Name(4R)-4-ethyl-2-hydroxy-7-methyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
PubChem CID102388428
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(4R)-4-ethyl-2-hydroxy-7-methyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
SMILESCC[C@@H]1CC(O)Oc2cc(C)oc(=O)c21
InChIInChI=1S/C11H14O4/c1-3-7-5-9(12)15-8-4-6(2)14-11(13)10(7)8/h4,7,9,12H,3,5H2,1-2H3/t7-,9?/m1/s1
InChIKeyBLSPASYAJFSCHT-YOXFSPIKSA-N
XLogP1.54
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-4-ethyl-2-hydroxy-7-methyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-hydroxy-4-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylate
CID 163269519
3-ethyl-2-hydroxy-7-methyl-4-propyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
CID 13164183
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
2-ethoxy-7-methyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one
CID 21792862
2-(3-ethylidene-2-hydroxy-5-methoxycarbonyl-4H-pyran-4-yl)acetic acid
CID 58695228
1-Hydroxy-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid
CID 67789102
1-Hydroxy-7-methyl-1,3,4,4a-tetrahydrocyclopenta[c]pyran-5-carboxylic acid
CID 67789268
6-Ethylidene-7-oxo-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylic acid
CID 74944329
2-[(2R,3E,4S)-3-ethylidene-2-hydroxy-5-methoxycarbonyl-4H-pyran-4-yl]acetic acid
CID 89887634
2-[(3Z)-3-ethylidene-2-hydroxy-5-methoxycarbonyl-4H-pyran-4-yl]acetic acid
CID 101924364
methyl (5E)-4-ethyl-5-ethylidene-6-hydroxy-4H-pyran-3-carboxylate
CID 142847964

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-2-hydroxy-7-methyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
The IUPAC name of (4R)-4-ethyl-2-hydroxy-7-methyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one (CID 102388428) is (4R)-4-ethyl-2-hydroxy-7-methyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one.
What is the SMILES notation for (4R)-4-ethyl-2-hydroxy-7-methyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
The canonical SMILES for (4R)-4-ethyl-2-hydroxy-7-methyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one is CC[C@@H]1CC(O)Oc2cc(C)oc(=O)c21.
What is the InChIKey of (4R)-4-ethyl-2-hydroxy-7-methyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
The InChIKey is BLSPASYAJFSCHT-YOXFSPIKSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-7-5-9(12)15-8-4-6(2)14-11(13)10(7)8/h4,7,9,12H,3,5H2,1-2H3/t7-,9?/m1/s1.
What are the key properties of (4R)-4-ethyl-2-hydroxy-7-methyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one?
(4R)-4-ethyl-2-hydroxy-7-methyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one has a molecular weight of 210.23 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-2-hydroxy-7-methyl-3,4-dihydro-2H-pyrano[3,2-c]pyran-5-one is sourced from PubChem (CID 102388428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).