2-prop-1-en-2-yl-3,6-dihydro-2H-furo[2,3-c]furan-4-one

C9H10O3 — CID 11607976

IUPAC2-prop-1-en-2-yl-3,6-dihydro-2H-furo[2,3-c]furan-4-one
SMILESC=C(C)C1CC2=C(COC2=O)O1
InChIInChI=1S/C9H10O3/c1-5(2)7-3-6-8(12-7)4-11-9(6)10/h7H,1,3-4H2,2H3
InChIKeyQPUZSQJRNOKXHB-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.16
Rot. Bonds1

About 2-prop-1-en-2-yl-3,6-dihydro-2H-furo[2,3-c]furan-4-one

2-prop-1-en-2-yl-3,6-dihydro-2H-furo[2,3-c]furan-4-one (PubChem CID 11607976) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-prop-1-en-2-yl-3,6-dihydro-2H-furo[2,3-c]furan-4-one.

Molecular Properties

Compound Name2-prop-1-en-2-yl-3,6-dihydro-2H-furo[2,3-c]furan-4-one
PubChem CID11607976
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2-prop-1-en-2-yl-3,6-dihydro-2H-furo[2,3-c]furan-4-one
SMILESC=C(C)C1CC2=C(COC2=O)O1
InChIInChI=1S/C9H10O3/c1-5(2)7-3-6-8(12-7)4-11-9(6)10/h7H,1,3-4H2,2H3
InChIKeyQPUZSQJRNOKXHB-UHFFFAOYSA-N
XLogP1.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester
CID 113476
2(5H)-Furanone, 4-methoxy-3-(4-pentenyl)-
CID 11458054
methyl (4R)-4-ethoxycyclopentene-1-carboxylate
CID 15937088
methyl (3aS,6aS)-5-(2-methoxy-2-oxoethyl)-3a,6a-dihydrofuro[3,2-b]furan-6-carboxylate
CID 101395708
(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
(3E)-5-ethyl-3-(oxolan-2-ylidene)oxolan-2-one
CID 11008560
6,6-Dimethyl-2-prop-1-en-2-yl-2,3-dihydrofuro[3,4-b]furan-4-one
CID 11679979
methyl (4S)-4-ethoxycyclopentene-1-carboxylate
CID 101625426
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

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yl-3,6-dihydro-2H-furo[2,3-c]furan-4-one?
The IUPAC name of 2-prop-1-en-2-yl-3,6-dihydro-2H-furo[2,3-c]furan-4-one (CID 11607976) is 2-prop-1-en-2-yl-3,6-dihydro-2H-furo[2,3-c]furan-4-one.
What is the SMILES notation for 2-prop-1-en-2-yl-3,6-dihydro-2H-furo[2,3-c]furan-4-one?
The canonical SMILES for 2-prop-1-en-2-yl-3,6-dihydro-2H-furo[2,3-c]furan-4-one is C=C(C)C1CC2=C(COC2=O)O1.
What is the InChIKey of 2-prop-1-en-2-yl-3,6-dihydro-2H-furo[2,3-c]furan-4-one?
The InChIKey is QPUZSQJRNOKXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-5(2)7-3-6-8(12-7)4-11-9(6)10/h7H,1,3-4H2,2H3.
What are the key properties of 2-prop-1-en-2-yl-3,6-dihydro-2H-furo[2,3-c]furan-4-one?
2-prop-1-en-2-yl-3,6-dihydro-2H-furo[2,3-c]furan-4-one has a molecular weight of 166.18 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yl-3,6-dihydro-2H-furo[2,3-c]furan-4-one is sourced from PubChem (CID 11607976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).