3-Butylcyclohexanone

HCID 566193CAS 39178-69-3
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Basic information

Standard SMILES
CCCCC1CCCC(=O)C1
InChIKey
ORIINXCHZXECLA-UHFFFAOYSA-N
Molecular formula
C10H18O
Average molar mass
154.25 g/mol
Monoisotopic mass
154.1357652

Names & identifiers

Preferred name
3-Butylcyclohexanone
IUPAC
3-butylcyclohexan-1-one

Names & synonyms

3-butylcyclohexanone39178-69-3DTXSID60340631RefChem:1067513DTXCID802917123-butylcyclohexan-1-one3-Butyl-cyclohexanoneCyclohexanone, 3-butyl-3-n-Butylcyclohexanone3-butyl-cyclohexan-1-oneSCHEMBL918157SCHEMBL7739927
Show more names
AKOS013845343NS00096199

Database identifiers

CAS
39178-69-3
PubChem CID
566193
DTXSID
DTXSID60340631
Nikkaji
J160.212H

Properties

Computed structural properties

XLogP
3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
11

Related reactions

15 records
New reaction record

Linked notes

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