2-(4-Methyl-1-oxopentyl)furan

HCID 95287
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Basic information

CAS
78072-59-0
Standard SMILES
CC(C)CCC(=O)c1ccco1
InChIKey
SCZPAWWSCDSDKR-UHFFFAOYSA-N
Molecular formula
C10H14O2
Average molar mass
166.22 g/mol
Monoisotopic mass
166.09937969

Names & identifiers

Preferred name
2-(4-Methyl-1-oxopentyl)furan
IUPAC
1-(furan-2-yl)-4-methylpentan-1-one

Names & synonyms

1-Pentanone, 1-(2-furanyl)-4-methyl-78072-59-02-(4-Methyl-1-oxopentyl)furan6U40GS12S7NSC 27362NSC-27362UNII-6U40GS12S7AI3-26554DTXSID502287171-(2-FURANYL)-4-METHYL-1-PENTANONE1-PENTANONE, 1-(2-FURYL)-4-METHYL-RefChem:197599
Show more names
DTXCID001512081-(furan-2-yl)-4-methylpentan-1-oneNSC273622-(4-methylvaleryl)furanSCHEMBL974211AKOS0109810644-Methylpentanone, 1-(furan-2-yl)-

Database identifiers

CAS
78072-59-0
PubChem CID
95287
DTXSID
DTXSID50228717
UNII
6U40GS12S7
Nikkaji
J371.320B

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
30.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
12

Related reactions

10 records
New reaction record

Compound notes

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