Home > Compound List > Compound details
624-04-4 molecular structure
click picture or here to close

2-(dodecanoyloxy)ethyl dodecanoate

ChemBase ID: 108309
Molecular Formular: C26H50O4
Molecular Mass: 426.6728
Monoisotopic Mass: 426.37091008
SMILES and InChIs

SMILES:
CCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCC
InChI:
InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-17-19-21-25(27)29-23-24-30-26(28)22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey:
ZVUNTIMPQCQCAQ-UHFFFAOYSA-N

Cite this record

CBID:108309 http://www.chembase.cn/molecule-108309.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(dodecanoyloxy)ethyl dodecanoate
IUPAC Traditional name
2-(dodecanoyloxy)ethyl dodecanoate
Synonyms
ETHYLENE GLYCOL DILAURATE
CAS Number
624-04-4
EC Number
210-827-0
PubChem SID
162095498
PubChem CID
69348

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05206876 external link Add to cart Please log in.
Data Source Data ID
PubChem 69348 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 9.0768795  LogD (pH = 7.4) 9.0768795 
Log P 9.0768795  Molar Refractivity 124.9284 cm3
Polarizability 50.147587 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds 25  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05206876 external link
MP Biomedicals Rare Chemical collection

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