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627-83-8 molecular structure
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2-(octadecanoyloxy)ethyl octadecanoate

ChemBase ID: 127594
Molecular Formular: C38H74O4
Molecular Mass: 594.99176
Monoisotopic Mass: 594.55871085
SMILES and InChIs

SMILES:
O=C(OCCOC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC
InChI:
InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKey:
FPVVYTCTZKCSOJ-UHFFFAOYSA-N

Cite this record

CBID:127594 http://www.chembase.cn/molecule-127594.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(octadecanoyloxy)ethyl octadecanoate
IUPAC Traditional name
glycol distearate
Synonyms
Ethylene glycol distearate
Ethylene distearate
Ethylene glycol dioctadecanoate
Glycol distearate
CAS Number
627-83-8
PubChem SID
162221913
PubChem CID
61174
Chemspider ID
55120
Wikipedia Title
Glycol_distearate

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 14.411703  LogD (pH = 7.4) 14.411703 
Log P 14.411703  Molar Refractivity 180.1404 cm3
Polarizability 72.28054 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds 37  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Melting Point
65-73 °C expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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