Home > Compound List > Compound details
63678-00-2 molecular structure
click picture or here to close

2,2-dimethyl-5-phenyloxolan-3-one

ChemBase ID: 310576
Molecular Formular: C12H14O2
Molecular Mass: 190.23836
Monoisotopic Mass: 190.09937969
SMILES and InChIs

SMILES:
O1C(C(=O)CC1c1ccccc1)(C)C
Canonical SMILES:
O=C1CC(OC1(C)C)c1ccccc1
InChI:
InChI=1S/C12H14O2/c1-12(2)11(13)8-10(14-12)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKey:
BPOHJJWGUCBNFI-UHFFFAOYSA-N

Cite this record

CBID:310576 http://www.chembase.cn/molecule-310576.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2-dimethyl-5-phenyloxolan-3-one
IUPAC Traditional name
2,2-dimethyl-5-phenyloxolan-3-one
Synonyms
2,2-dimethyl-5-phenyldihydrofuran-3(2H)-one
CAS Number
63678-00-2
MDL Number
MFCD00463229

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 5106458 external link Add to cart
Data Source Data ID Price
ChemBridge
5106458 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) 2.6562703  LogD (pH = 7.4) 2.6562703 
Log P 2.6562703  Molar Refractivity 54.2785 cm3
Polarizability 21.406956 Å3 Polar Surface Area 26.3 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