1-(5-(Furan-3-yl)-2-methyloxolan-2-yl)-4-methylpentan-2-one
Basic information
- CAS
11033-12-8- Standard SMILES
CC(C)CC(=O)CC1(C)CCC(c2ccoc2)O1- InChIKey
WOFDWNOSFDVCDF-UHFFFAOYSA-N- Molecular formula
- C15H22O3
- Average molar mass
- 250.33 g/mol
- Monoisotopic mass
- 250.15689456
Overview
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Names & identifiers
- Preferred name
- 1-(5-(Furan-3-yl)-2-methyloxolan-2-yl)-4-methylpentan-2-one
- IUPAC
- 1-[5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one
- English name
- ipomeamarone
- Molecular formula
- C15H22O3
- Molecular weight
- 250.33
Names & synonyms
DTXSID909115901-[5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one11033-12-81-(5-(Furan-3-yl)-2-methyloxolan-2-yl)-4-methylpentan-2-oneRefChem:1054494DTXCID201340623NgaioneBOHLMANN 17620007-82-3(+)-IpomeamaroneNSC 3175362-Pentanone, 1-[5-(3-furyl)tetrahydro-2-methyl-2-furyl]-4-methyl-
Show more names
ipomeamarone4-Methyl-1-(2,3,4,5-tetrahydro-5-methyl-2,3'-bifuran-5-yl)-2-pentanone
Ipomeamarone, (+)-Ngaione, (+)-2-Pentanone, 4-methyl-1-(2,3,4,5-tetrahydro-5-methyl[2,3'-bifuran]-5-yl)-NSC 256944Ipomeamorone2-Pentanone, 1-(5-(3-furyl)tetrahydro-2-methyl-2-furyl)-4-methyl-2-Pentanone, 4-methyl-1-(2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-UNII-YMF39VPK7M
Database identifiers
- CAS
11033-12-8、20007-82-3、494-23-5- PubChem CID
- 99899
- DTXSID
DTXSID90911590- Nikkaji
- J113.260A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Boiling point
- 343.6 · 343.6±27.0 °C(Predicted)
- Density
- 1.016 · 1.016±0.06 g/cm3(Predicted)
- LogP
- 3.744 · 3.744 (est)
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Compound notes
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