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

C11H14O3 — CID 15855951

IUPAC2,2,3,6-tetramethyl-3H-furo[3,2-c]pyran-4-one
SMILESCc1cc2c(c(=O)o1)C(C)C(C)(C)O2
InChIInChI=1S/C11H14O3/c1-6-5-8-9(10(12)13-6)7(2)11(3,4)14-8/h5,7H,1-4H3
InChIKeyCAIMXPDCXOXBCZ-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.22
Rot. Bonds

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

2,2,3,6-tetramethyl-3H-furo[3,2-c]pyran-4-one (PubChem CID 15855951) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2,2,3,6-tetramethyl-3H-furo[3,2-c]pyran-4-one.

Molecular Properties

Compound Name2,2,3,6-tetramethyl-3H-furo[3,2-c]pyran-4-one
PubChem CID15855951
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2,2,3,6-tetramethyl-3H-furo[3,2-c]pyran-4-one
SMILESCc1cc2c(c(=O)o1)C(C)C(C)(C)O2
InChIInChI=1S/C11H14O3/c1-6-5-8-9(10(12)13-6)7(2)11(3,4)14-8/h5,7H,1-4H3
InChIKeyCAIMXPDCXOXBCZ-UHFFFAOYSA-N
XLogP2.22
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone
CID 131751246
3-Isovalidene-3alpha,4-dihydrophthalide
CID 68469266
10-Hydroxymucidone
CID 134155696
Butylidene dihydro-phthalide
CID 91182135
3-(2-Methylpropylidene)-3a,4-dihydro-2-benzofuran-1(3H)-one
CID 71374939
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
(3Z)-3-butylidene-6,7-dihydroisobenzofuran-1-one
CID 71597749
Butylidene dihydrophthalide
CID 91752777
tert-butyl 5-methyl-2-methylidene-3-propyl-3H-furan-4-carboxylate
CID 12424583
(1S,9S)-5-methyl-4,8,12-trioxatricyclo[7.4.0.02,7]trideca-2(7),5,10-trien-3-one
CID 102526054

Frequently Asked Questions

What is the IUPAC name of 2,2,3,6-tetramethyl-3H-furo[3,2-c]pyran-4-one?
The IUPAC name of 2,2,3,6-tetramethyl-3H-furo[3,2-c]pyran-4-one (CID 15855951) is 2,2,3,6-tetramethyl-3H-furo[3,2-c]pyran-4-one.
What is the SMILES notation for 2,2,3,6-tetramethyl-3H-furo[3,2-c]pyran-4-one?
The canonical SMILES for 2,2,3,6-tetramethyl-3H-furo[3,2-c]pyran-4-one is Cc1cc2c(c(=O)o1)C(C)C(C)(C)O2.
What is the InChIKey of 2,2,3,6-tetramethyl-3H-furo[3,2-c]pyran-4-one?
The InChIKey is CAIMXPDCXOXBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-6-5-8-9(10(12)13-6)7(2)11(3,4)14-8/h5,7H,1-4H3.
What are the key properties of 2,2,3,6-tetramethyl-3H-furo[3,2-c]pyran-4-one?
2,2,3,6-tetramethyl-3H-furo[3,2-c]pyran-4-one has a molecular weight of 194.23 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,6-tetramethyl-3H-furo[3,2-c]pyran-4-one is sourced from PubChem (CID 15855951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).