2,2-diethyl-6-methyl-3H-furo[3,2-c]pyran-4-one

C12H16O3 — CID 101041220

IUPAC2,2-diethyl-6-methyl-3H-furo[3,2-c]pyran-4-one
SMILESCCC1(CC)Cc2c(cc(C)oc2=O)O1
InChIInChI=1S/C12H16O3/c1-4-12(5-2)7-9-10(15-12)6-8(3)14-11(9)13/h6H,4-5,7H2,1-3H3
InChIKeyXLCVPATZQKKUTO-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.44
Rot. Bonds2

About 2,2-diethyl-6-methyl-3H-furo[3,2-c]pyran-4-one

2,2-diethyl-6-methyl-3H-furo[3,2-c]pyran-4-one (PubChem CID 101041220) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2,2-diethyl-6-methyl-3H-furo[3,2-c]pyran-4-one.

Molecular Properties

Compound Name2,2-diethyl-6-methyl-3H-furo[3,2-c]pyran-4-one
PubChem CID101041220
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2,2-diethyl-6-methyl-3H-furo[3,2-c]pyran-4-one
SMILESCCC1(CC)Cc2c(cc(C)oc2=O)O1
InChIInChI=1S/C12H16O3/c1-4-12(5-2)7-9-10(15-12)6-8(3)14-11(9)13/h6H,4-5,7H2,1-3H3
InChIKeyXLCVPATZQKKUTO-UHFFFAOYSA-N
XLogP2.44
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3Z)-3-butylidene-3a,4,5,6-tetrahydro-2-benzofuran-1-one
CID 91747285
3-Isovalidene-3alpha,4-dihydrophthalide
CID 68469266
10-Hydroxymucidone
CID 134155696
5-Methyl-3-(2-methylbutyl)-6-pentan-2-ylpyran-2-one
CID 156581621
7,7a-Dihydro-2,4,7,7,7a-pentamethylbenzo(b)furan-5,6-dicarboxylic anhydride
CID 14716578
3-(3-Methylbutylidene)-3a,4-dihydro-2-benzofuran-1(3H)-one
CID 67481206
fluoro (5S)-5-[(1E,3E)-hexa-1,3-dienyl]-5-methyl-4-methylidene-2-[(E)-prop-1-enyl]furan-3-carboxylate
CID 166126848
tert-butyl 5-methyl-2-methylidene-3-propyl-3H-furan-4-carboxylate
CID 12424583
3-Carbethoxy-2,5-dimethyl-5-isopropenyl-4,5-dihydrofuran
CID 13413057
Methyl 2-methyl-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate
CID 13459708
methyl (3aS,7aS)-2-methyl-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate
CID 13459709
5-Isopropenyl-3-carboxy-2,5-dimethyl-4,5-dihydrofuran
CID 85664307

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-6-methyl-3H-furo[3,2-c]pyran-4-one?
The IUPAC name of 2,2-diethyl-6-methyl-3H-furo[3,2-c]pyran-4-one (CID 101041220) is 2,2-diethyl-6-methyl-3H-furo[3,2-c]pyran-4-one.
What is the SMILES notation for 2,2-diethyl-6-methyl-3H-furo[3,2-c]pyran-4-one?
The canonical SMILES for 2,2-diethyl-6-methyl-3H-furo[3,2-c]pyran-4-one is CCC1(CC)Cc2c(cc(C)oc2=O)O1.
What is the InChIKey of 2,2-diethyl-6-methyl-3H-furo[3,2-c]pyran-4-one?
The InChIKey is XLCVPATZQKKUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-4-12(5-2)7-9-10(15-12)6-8(3)14-11(9)13/h6H,4-5,7H2,1-3H3.
What are the key properties of 2,2-diethyl-6-methyl-3H-furo[3,2-c]pyran-4-one?
2,2-diethyl-6-methyl-3H-furo[3,2-c]pyran-4-one has a molecular weight of 208.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-6-methyl-3H-furo[3,2-c]pyran-4-one is sourced from PubChem (CID 101041220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).