6,6-dimethyl-2-prop-1-en-2-yl-2,3-dihydrofuro[3,4-b]furan-4-one

C11H14O3 — CID 11679979

IUPAC6,6-dimethyl-2-prop-1-en-2-yl-2,3-dihydrofuro[3,4-b]furan-4-one
SMILESC=C(C)C1CC2=C(O1)C(C)(C)OC2=O
InChIInChI=1S/C11H14O3/c1-6(2)8-5-7-9(13-8)11(3,4)14-10(7)12/h8H,1,5H2,2-4H3
InChIKeyJZZDFHOIONEFRL-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.94
Rot. Bonds1

About 6,6-dimethyl-2-prop-1-en-2-yl-2,3-dihydrofuro[3,4-b]furan-4-one

6,6-dimethyl-2-prop-1-en-2-yl-2,3-dihydrofuro[3,4-b]furan-4-one (PubChem CID 11679979) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6,6-dimethyl-2-prop-1-en-2-yl-2,3-dihydrofuro[3,4-b]furan-4-one.

Molecular Properties

Compound Name6,6-dimethyl-2-prop-1-en-2-yl-2,3-dihydrofuro[3,4-b]furan-4-one
PubChem CID11679979
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name6,6-dimethyl-2-prop-1-en-2-yl-2,3-dihydrofuro[3,4-b]furan-4-one
SMILESC=C(C)C1CC2=C(O1)C(C)(C)OC2=O
InChIInChI=1S/C11H14O3/c1-6(2)8-5-7-9(13-8)11(3,4)14-10(7)12/h8H,1,5H2,2-4H3
InChIKeyJZZDFHOIONEFRL-UHFFFAOYSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6,6-dimethyl-2-prop-1-en-2-yl-2,3-dihydrofuro[3,4-b]furan-4-one with MolForge

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Related Compounds

3-Furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester
CID 113476
3-Carbethoxy-2,5-dimethyl-5-isopropenyl-4,5-dihydrofuran
CID 13413057
(3As,6as)-2,5-dimethyl-3a,6a-dihydro-furo[3,2-b]furan-3,6-dicarboxylic acid dimethyl ester
CID 129828042
(3As,6as)-2,5-dimethyl-3a,6a-dihydro-furo[3,2-b]furan-3,6-dicarboxylic acid diethyl ester
CID 129828077
2-prop-1-en-2-yl-3,6-dihydro-2H-furo[2,3-c]furan-4-one
CID 11607976
Ethyl 5-methyl-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 14113980
Propan-2-yl 2-ethyl-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 20191511
Propyl 2-ethyl-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 20191514
4-Carbethoxy-2-ethyl-5-pentyl-2,3-dihydrofuran
CID 20191515
4-Carbethoxy-5-pentyl-2-vinyl-2,3-dihydrofuran
CID 20191518
Ethyl 5-methyl-2-prop-2-enyl-2,3-dihydrofuran-4-carboxylate
CID 20191531
Methyl 2-ethyl-5-pentyl-2,3-dihydrofuran-4-carboxylate
CID 20191532

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-prop-1-en-2-yl-2,3-dihydrofuro[3,4-b]furan-4-one?
The IUPAC name of 6,6-dimethyl-2-prop-1-en-2-yl-2,3-dihydrofuro[3,4-b]furan-4-one (CID 11679979) is 6,6-dimethyl-2-prop-1-en-2-yl-2,3-dihydrofuro[3,4-b]furan-4-one.
What is the SMILES notation for 6,6-dimethyl-2-prop-1-en-2-yl-2,3-dihydrofuro[3,4-b]furan-4-one?
The canonical SMILES for 6,6-dimethyl-2-prop-1-en-2-yl-2,3-dihydrofuro[3,4-b]furan-4-one is C=C(C)C1CC2=C(O1)C(C)(C)OC2=O.
What is the InChIKey of 6,6-dimethyl-2-prop-1-en-2-yl-2,3-dihydrofuro[3,4-b]furan-4-one?
The InChIKey is JZZDFHOIONEFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-6(2)8-5-7-9(13-8)11(3,4)14-10(7)12/h8H,1,5H2,2-4H3.
What are the key properties of 6,6-dimethyl-2-prop-1-en-2-yl-2,3-dihydrofuro[3,4-b]furan-4-one?
6,6-dimethyl-2-prop-1-en-2-yl-2,3-dihydrofuro[3,4-b]furan-4-one has a molecular weight of 194.23 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-prop-1-en-2-yl-2,3-dihydrofuro[3,4-b]furan-4-one is sourced from PubChem (CID 11679979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).