Home > Compound List > Compound details
50598-47-5 molecular structure
click picture or here to close

1-(2,2-dimethylcyclopropyl)propan-1-one

ChemBase ID: 308660
Molecular Formular: C8H14O
Molecular Mass: 126.19616
Monoisotopic Mass: 126.10446507
SMILES and InChIs

SMILES:
C1(C(C1)C(=O)CC)(C)C
Canonical SMILES:
CCC(=O)C1CC1(C)C
InChI:
InChI=1S/C8H14O/c1-4-7(9)6-5-8(6,2)3/h6H,4-5H2,1-3H3
InChIKey:
OQUWBYIAYRFRFB-UHFFFAOYSA-N

Cite this record

CBID:308660 http://www.chembase.cn/molecule-308660.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2,2-dimethylcyclopropyl)propan-1-one
IUPAC Traditional name
1-(2,2-dimethylcyclopropyl)propan-1-one
Synonyms
1-(2,2-dimethylcyclopropyl)-1-propanone
CAS Number
50598-47-5
MDL Number
MFCD11505314

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4032891 external link Add to cart
Data Source Data ID Price
ChemBridge
4032891 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1736782  LogD (pH = 7.4) 2.1736782 
Log P 2.1736782  Molar Refractivity 37.2446 cm3
Polarizability 14.80832 Å3 Polar Surface Area 17.07 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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