Home > Compound List > Compound details
4433-30-1 molecular structure
click picture or here to close

1-phenylundecan-1-one

ChemBase ID: 301900
Molecular Formular: C17H26O
Molecular Mass: 246.38774
Monoisotopic Mass: 246.19836545
SMILES and InChIs

SMILES:
CCCCCCCCCCC(=O)c1ccccc1
Canonical SMILES:
CCCCCCCCCCC(=O)c1ccccc1
InChI:
InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-12-15-17(18)16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3
InChIKey:
LHJBFOGCFZHBAJ-UHFFFAOYSA-N

Cite this record

CBID:301900 http://www.chembase.cn/molecule-301900.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-phenylundecan-1-one
IUPAC Traditional name
1-phenylundecan-1-one
Synonyms
n-Decyl phenyl ketone
Undecanophenone
十一苯酮
CAS Number
4433-30-1
EC Number
224-633-9
MDL Number
MFCD00051548
Beilstein Number
2211502

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar L02119 external link Add to cart
Data Source Data ID Price
Alfa Aesar
L02119 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.150484  H Acceptors
H Donor LogD (pH = 5.5) 5.7879786 
LogD (pH = 7.4) 5.7879786  Log P 5.7879786 
Molar Refractivity 77.8957 cm3 Polarizability 30.691603 Å3
Polar Surface Area 17.07 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
28-30°C expand Show data source
Boiling Point
202-204°C/14mm expand Show data source
TSCA Listed
expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle