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65376-23-0 molecular structure
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2,3-bis(dodecanoyloxy)propyl tetradecanoate

ChemBase ID: 155520
Molecular Formular: C41H78O6
Molecular Mass: 667.05442
Monoisotopic Mass: 666.57984022
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC
InChI:
InChI=1S/C41H78O6/c1-4-7-10-13-16-19-20-23-25-28-31-34-40(43)46-37-38(47-41(44)35-32-29-26-22-18-15-12-9-6-3)36-45-39(42)33-30-27-24-21-17-14-11-8-5-2/h38H,4-37H2,1-3H3
InChIKey:
SMUUMIRCIBXLGI-UHFFFAOYSA-N

Cite this record

CBID:155520 http://www.chembase.cn/molecule-155520.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-bis(dodecanoyloxy)propyl tetradecanoate
IUPAC Traditional name
2,3-bis(dodecanoyloxy)propyl tetradecanoate
Synonyms
1,2-Dilauroyl-3-myristoyl-rac-glycerol
1,2-Didodecanoyl-3-tetradecanoyl-rac-glycerol
CAS Number
65376-23-0
MDL Number
MFCD00063570
PubChem SID
24893720
162249658
PubChem CID
4589033

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
D2907 external link Add to cart Please log in.
Data Source Data ID
PubChem 4589033 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 14.478461  LogD (pH = 7.4) 14.478461 
Log P 14.478461  Molar Refractivity 195.2803 cm3
Polarizability 78.542336 Å3 Polar Surface Area 78.9 Å2
Rotatable Bonds 40  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥99% expand Show data source
Empirical Formula (Hill Notation)
C41H78O6 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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