Home > Compound List > Compound details
190-26-1 molecular structure
click picture or here to close

ovalene

ChemBase ID: 130537
Molecular Formular: C32H14
Molecular Mass: 398.45356
Monoisotopic Mass: 398.10955045
SMILES and InChIs

SMILES:
c1cc2c3c4c1ccc1cc5c6c7c(ccc8c7c7c(cc8)cc(c3c7c6c41)cc2)cc5
Canonical SMILES:
c1cc2ccc3c4c2c2c1cc1ccc5c6c1c2c1c4c(cc3)cc2c1c6c(cc5)cc2
InChI:
InChI=1S/C32H14/c1-2-16-6-10-20-14-22-12-8-18-4-3-17-7-11-21-13-19-9-5-15(1)23-24(16)28(20)32-30(22)26(18)25(17)29(21)31(32)27(19)23/h1-14H
InChIKey:
LSQODMMMSXHVCN-UHFFFAOYSA-N

Cite this record

CBID:130537 http://www.chembase.cn/molecule-130537.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ovalene
IUPAC Traditional name
ovalene
Synonyms
Ovalene
CAS Number
190-26-1
EC Number
205-880-1
PubChem SID
162224815
PubChem CID
67446
Wikipedia Title
Ovalene

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.5897937  LogD (pH = 7.4) 7.5897937 
Log P 7.5897937  Molar Refractivity 130.6798 cm3
Polarizability 62.5694 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Safety Statements
R expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

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