Home > Compound List > Compound details
31699-38-4 molecular structure
click picture or here to close

dodeca-2,10-diyne

ChemBase ID: 302304
Molecular Formular: C12H18
Molecular Mass: 162.27132
Monoisotopic Mass: 162.14085058
SMILES and InChIs

SMILES:
CC#CCCCCCCC#CC
Canonical SMILES:
CC#CCCCCCCC#CC
InChI:
InChI=1S/C12H18/c1-3-5-7-9-11-12-10-8-6-4-2/h7-12H2,1-2H3
InChIKey:
CNMHMGNWEVHOCK-UHFFFAOYSA-N

Cite this record

CBID:302304 http://www.chembase.cn/molecule-302304.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dodeca-2,10-diyne
IUPAC Traditional name
2,10-dodecadiyne
Synonyms
2,10-Dodecadiyne
2,10-十二碳二炔
CAS Number
31699-38-4
MDL Number
MFCD00041622

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar L12822 external link Add to cart
Data Source Data ID Price
Alfa Aesar
L12822 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) 4.967963  LogD (pH = 7.4) 4.967963 
Log P 4.967963  Molar Refractivity 55.737 cm3
Polarizability 20.689945 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
103-104°C/8mm expand Show data source
Refractive Index
1.4700 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