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36078-10-1 molecular structure
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dodecyl octadec-9-enoate

ChemBase ID: 104454
Molecular Formular: C30H58O2
Molecular Mass: 450.78032
Monoisotopic Mass: 450.4436811
SMILES and InChIs

SMILES:
CCCCCCCCCCCCOC(=O)CCCCCCC/C=C/CCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCOC(=O)CCCCCCC/C=C/CCCCCCCC
InChI:
InChI=1S/C30H58O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31)32-29-27-25-23-21-14-12-10-8-6-4-2/h16-17H,3-15,18-29H2,1-2H3
InChIKey:
OXPCWUWUWIWSGI-UHFFFAOYSA-N

Cite this record

CBID:104454 http://www.chembase.cn/molecule-104454.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dodecyl octadec-9-enoate
IUPAC Traditional name
dodecyl octadec-9-enoate
Synonyms
Lauryl oleate
OLEIC ACID LAURYL ESTER
CAS Number
36078-10-1
EC Number
252-862-4
PubChem SID
162092722
PubChem CID
6174142

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02155990 external link Add to cart Please log in.
Data Source Data ID
PubChem 6174142 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 11.810141  LogD (pH = 7.4) 11.810141 
Log P 11.810141  Molar Refractivity 142.8529 cm3
Polarizability 56.579586 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 27  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
0°C expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02155990 external link
(Lauryl oleate)

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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