5-pentyl-2,2-bis(prop-2-enyl)furan-3-one

C15H22O2 — CID 70002140

IUPAC5-pentyl-2,2-bis(prop-2-enyl)furan-3-one
SMILESC=CCC1(CC=C)OC(CCCCC)=CC1=O
InChIInChI=1S/C15H22O2/c1-4-7-8-9-13-12-14(16)15(17-13,10-5-2)11-6-3/h5-6,12H,2-4,7-11H2,1H3
InChIKeyRWUBIHJRMMUWIA-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.94
Rot. Bonds8

About 5-pentyl-2,2-bis(prop-2-enyl)furan-3-one

5-pentyl-2,2-bis(prop-2-enyl)furan-3-one (PubChem CID 70002140) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-pentyl-2,2-bis(prop-2-enyl)furan-3-one.

Molecular Properties

Compound Name5-pentyl-2,2-bis(prop-2-enyl)furan-3-one
PubChem CID70002140
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name5-pentyl-2,2-bis(prop-2-enyl)furan-3-one
SMILESC=CCC1(CC=C)OC(CCCCC)=CC1=O
InChIInChI=1S/C15H22O2/c1-4-7-8-9-13-12-14(16)15(17-13,10-5-2)11-6-3/h5-6,12H,2-4,7-11H2,1H3
InChIKeyRWUBIHJRMMUWIA-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-5-pentyl-2,3-dihydro-3-furanone
CID 13333783
2,5-Dimethyl-2-pent-4-enylfuran-3-one
CID 85974375
2-Ethyl-2,5-dimethyl-3(2h)-furanone
CID 129803748
(5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one
CID 134933023
2,5-Dimethyl-2-prop-2-enylfuran-3-one
CID 145994580
2-Hex-5-enyl-2,5-dimethylfuran-3-one
CID 145994768
(Z)-2-(Hex-3-enyloxy)-3-methylcyclopent-2-en-1-one
CID 20836221
2,2-Dimethyl-5-(2-methylpropyl)furan-3-one
CID 13333782
2,2,5-Trimethyl-4-prop-2-enylfuran-3-one
CID 85712556
2,2-Diethyl-5-methylfuran-3-one
CID 21465723
2-[(Z)-hept-4-en-2-yl]oxy-5-methylcyclopent-2-en-1-one
CID 178792097
2-[(Z)-hept-4-en-2-yl]oxy-3-methylcyclopent-2-en-1-one
CID 178792102

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-2,2-bis(prop-2-enyl)furan-3-one?
The IUPAC name of 5-pentyl-2,2-bis(prop-2-enyl)furan-3-one (CID 70002140) is 5-pentyl-2,2-bis(prop-2-enyl)furan-3-one.
What is the SMILES notation for 5-pentyl-2,2-bis(prop-2-enyl)furan-3-one?
The canonical SMILES for 5-pentyl-2,2-bis(prop-2-enyl)furan-3-one is C=CCC1(CC=C)OC(CCCCC)=CC1=O.
What is the InChIKey of 5-pentyl-2,2-bis(prop-2-enyl)furan-3-one?
The InChIKey is RWUBIHJRMMUWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-7-8-9-13-12-14(16)15(17-13,10-5-2)11-6-3/h5-6,12H,2-4,7-11H2,1H3.
What are the key properties of 5-pentyl-2,2-bis(prop-2-enyl)furan-3-one?
5-pentyl-2,2-bis(prop-2-enyl)furan-3-one has a molecular weight of 234.34 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-2,2-bis(prop-2-enyl)furan-3-one is sourced from PubChem (CID 70002140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).