Home > Compound List > Compound details
4493-23-6 molecular structure
click picture or here to close

undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane

ChemBase ID: 127180
Molecular Formular: C20H20
Molecular Mass: 260.3728
Monoisotopic Mass: 260.15650064
SMILES and InChIs

SMILES:
C12C3C4C5C6C7C8C(C1C1C9C%10C(C4C29)C5C7C%10C81)C36
Canonical SMILES:
C12C3C4C5C2C2C6C1C1C3C3C4C4C5C2C2C6C1C3C42
InChI:
InChI=1S/C20H20/c1-2-5-7-3(1)9-10-4(1)8-6(2)12-11(5)17-13(7)15(9)19-16(10)14(8)18(12)20(17)19/h1-20H
InChIKey:
OOHPORRAEMMMCX-UHFFFAOYSA-N

Cite this record

CBID:127180 http://www.chembase.cn/molecule-127180.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane
IUPAC Traditional name
dodecahedrane
Synonyms
Dodecahedrane
CAS Number
4493-23-6
PubChem SID
162221502
PubChem CID
123218
CHEBI ID
33013
Chemspider ID
109833
Wikipedia Title
Dodecahedrane

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) 1.103123  LogD (pH = 7.4) 1.103123 
Log P 1.103123  Molar Refractivity 72.95 cm3
Polarizability 29.550446 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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