5,5-bis(prop-2-enyl)furan-2-one

C10H12O2 — CID 11412573

IUPAC5,5-bis(prop-2-enyl)furan-2-one
SMILESC=CCC1(CC=C)C=CC(=O)O1
InChIInChI=1S/C10H12O2/c1-3-6-10(7-4-2)8-5-9(11)12-10/h3-5,8H,1-2,6-7H2
InChIKeyFBRZLTBIWKRLTD-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.99
Rot. Bonds4

About 5,5-bis(prop-2-enyl)furan-2-one

5,5-bis(prop-2-enyl)furan-2-one (PubChem CID 11412573) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 5,5-bis(prop-2-enyl)furan-2-one.

Molecular Properties

Compound Name5,5-bis(prop-2-enyl)furan-2-one
PubChem CID11412573
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name5,5-bis(prop-2-enyl)furan-2-one
SMILESC=CCC1(CC=C)C=CC(=O)O1
InChIInChI=1S/C10H12O2/c1-3-6-10(7-4-2)8-5-9(11)12-10/h3-5,8H,1-2,6-7H2
InChIKeyFBRZLTBIWKRLTD-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

t-butyl(E)-2,6-heptadienoate
CID 10986921
2-Hexenoic acid tert-butyl ester
CID 11159574
5,5-Diethylfuran-2-one
CID 12515801
5-Ethyl-4,5-dimethylfuran-2-one
CID 15587440
(E)-tert-Butyl hept-2-enoate
CID 15636290
tert-Butyl hex-2-enoate
CID 71354133
(5R)-5-methyl-5-(4-methylpent-3-enyl)furan-2-one
CID 101897151
6,6-Dimethyl-5,6-dihydro-2H-pyran-2-one
CID 12553933
methyl (E)-3-(4,5,5-trimethyl-2-prop-1-en-2-ylfuran-2-yl)prop-2-enoate
CID 11118042
2-Octenoic acid, 1,1-dimethylethyl ester, (2E)-
CID 11229387
1-Oxaspiro[4.4]nona-3,8-dien-2-one
CID 15414455
3,4-Dimethyl-5,5-bis(prop-2-enyl)furan-2-one
CID 85779289

Frequently Asked Questions

What is the IUPAC name of 5,5-bis(prop-2-enyl)furan-2-one?
The IUPAC name of 5,5-bis(prop-2-enyl)furan-2-one (CID 11412573) is 5,5-bis(prop-2-enyl)furan-2-one.
What is the SMILES notation for 5,5-bis(prop-2-enyl)furan-2-one?
The canonical SMILES for 5,5-bis(prop-2-enyl)furan-2-one is C=CCC1(CC=C)C=CC(=O)O1.
What is the InChIKey of 5,5-bis(prop-2-enyl)furan-2-one?
The InChIKey is FBRZLTBIWKRLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-3-6-10(7-4-2)8-5-9(11)12-10/h3-5,8H,1-2,6-7H2.
What are the key properties of 5,5-bis(prop-2-enyl)furan-2-one?
5,5-bis(prop-2-enyl)furan-2-one has a molecular weight of 164.20 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(prop-2-enyl)furan-2-one is sourced from PubChem (CID 11412573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).