[(2R)-4-ethyl-3-methyl-2H-pyran-2-yl]-(4-ethyl-5-methyl-2H-pyran-6-yl)methanone

C17H22O3 — CID 125473950

IUPAC[(2R)-4-ethyl-3-methyl-2H-pyran-2-yl]-(4-ethyl-5-methyl-2H-pyran-6-yl)methanone
SMILESCCC1=CCOC(C(=O)[C@@H]2OC=CC(CC)=C2C)=C1C
InChIInChI=1S/C17H22O3/c1-5-13-7-9-19-16(11(13)3)15(18)17-12(4)14(6-2)8-10-20-17/h7-9,16H,5-6,10H2,1-4H3/t16-/m1/s1
InChIKeySCDHDXXHVRXYKI-MRXNPFEDSA-N
MW274.36 g/mol
LogP3.84
Rot. Bonds4

About [(2R)-4-ethyl-3-methyl-2H-pyran-2-yl]-(4-ethyl-5-methyl-2H-pyran-6-yl)methanone

[(2R)-4-ethyl-3-methyl-2H-pyran-2-yl]-(4-ethyl-5-methyl-2H-pyran-6-yl)methanone (PubChem CID 125473950) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is [(2R)-4-ethyl-3-methyl-2H-pyran-2-yl]-(4-ethyl-5-methyl-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name[(2R)-4-ethyl-3-methyl-2H-pyran-2-yl]-(4-ethyl-5-methyl-2H-pyran-6-yl)methanone
PubChem CID125473950
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name[(2R)-4-ethyl-3-methyl-2H-pyran-2-yl]-(4-ethyl-5-methyl-2H-pyran-6-yl)methanone
SMILESCCC1=CCOC(C(=O)[C@@H]2OC=CC(CC)=C2C)=C1C
InChIInChI=1S/C17H22O3/c1-5-13-7-9-19-16(11(13)3)15(18)17-12(4)14(6-2)8-10-20-17/h7-9,16H,5-6,10H2,1-4H3/t16-/m1/s1
InChIKeySCDHDXXHVRXYKI-MRXNPFEDSA-N
XLogP3.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R)-4-ethyl-3-methyl-2H-pyran-2-yl]-(4-ethyl-5-methyl-2H-pyran-6-yl)methanone with MolForge

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Related Compounds

ethyl 4-ethyl-2-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 91169541
ethyl (2R)-4-oxo-2,3-dihydropyran-2-carboxylate
CID 86331891
4-[(5-ethylfuran-2-yl)methyl]-2H-furan-5-one
CID 59382465
4-[(Z)-4-iodo-3-methylbut-3-enyl]-2H-furan-5-one
CID 25215299
ethyl 3-(3-oxofuran-2-yl)propanoate
CID 174454002
methyl 4-[(2R)-4-oxo-2,3-dihydropyran-2-yl]butanoate
CID 11550178
(4S)-2-ethyl-4-hydroxycyclopent-2-en-1-one
CID 58922282
4-(trimethylsilylmethyl)-2H-furan-5-one
CID 14116359
(5S)-5-amino-5-ethyl-4-methyl-2H-pyran-6-one
CID 97170372
ethyl 6-(trifluoromethyl)-2H-chromene-4-carboxylate
CID 118389886
(2R)-4-ethyl-2-hydroxy-2H-furan-5-one
CID 124583750
2-propylpyran-3,4-dione
CID 21397296

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-ethyl-3-methyl-2H-pyran-2-yl]-(4-ethyl-5-methyl-2H-pyran-6-yl)methanone?
The IUPAC name of [(2R)-4-ethyl-3-methyl-2H-pyran-2-yl]-(4-ethyl-5-methyl-2H-pyran-6-yl)methanone (CID 125473950) is [(2R)-4-ethyl-3-methyl-2H-pyran-2-yl]-(4-ethyl-5-methyl-2H-pyran-6-yl)methanone.
What is the SMILES notation for [(2R)-4-ethyl-3-methyl-2H-pyran-2-yl]-(4-ethyl-5-methyl-2H-pyran-6-yl)methanone?
The canonical SMILES for [(2R)-4-ethyl-3-methyl-2H-pyran-2-yl]-(4-ethyl-5-methyl-2H-pyran-6-yl)methanone is CCC1=CCOC(C(=O)[C@@H]2OC=CC(CC)=C2C)=C1C.
What is the InChIKey of [(2R)-4-ethyl-3-methyl-2H-pyran-2-yl]-(4-ethyl-5-methyl-2H-pyran-6-yl)methanone?
The InChIKey is SCDHDXXHVRXYKI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22O3/c1-5-13-7-9-19-16(11(13)3)15(18)17-12(4)14(6-2)8-10-20-17/h7-9,16H,5-6,10H2,1-4H3/t16-/m1/s1.
What are the key properties of [(2R)-4-ethyl-3-methyl-2H-pyran-2-yl]-(4-ethyl-5-methyl-2H-pyran-6-yl)methanone?
[(2R)-4-ethyl-3-methyl-2H-pyran-2-yl]-(4-ethyl-5-methyl-2H-pyran-6-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-ethyl-3-methyl-2H-pyran-2-yl]-(4-ethyl-5-methyl-2H-pyran-6-yl)methanone is sourced from PubChem (CID 125473950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).