Molfinder
Home
Support
About Us
Data Source
Statistics
Blogs
Molecule
ID:131027
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₂₄H₄₈O₂
Molecular Mass
368.63672
Exact Mass
368.36543078
Charge
0
InChI
InChI=1S/C24H48O2/c1-3-5-7-9-11-13-15-17-19-21-23-26-24(25)22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
InChIKey
CYUUZGXOQDCCGH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCOC(=O)CCCCCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCOC(=O)CCCCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
9.50
LogD (pH = 5.5)
9.50
Log P
9.50
Rotatable Bonds
22
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
false
Acid pKa
-7.03
Polar Surface Area
26.30
Polarizability
51.17
Molar Refractivity
114.13
LOG S
-10.02
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...
Quote
Download
Navigation
General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
Synonyms
•
IUPAC name
•
IUPAC Traditional name
Registration numbers
Properties
•
Safety Information
Related Proteins
Molecular Spectra
Molecule Details
•
ChEBI
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Sigma Aldrich
L4750
Academic Data
PubChem
84113
ChEBI
CHEBI:141061
Names and Identifiers
Synonyms
Lauryl laurate
Lauric acid lauryl ester
Dodecyl dodecanoate
dodecyl dodecanoate
lauryl laurate
dodecanyl dodecanoate
WE(12:0/12:0)
dodecyl laurate
IUPAC name
dodecyl dodecanoate
IUPAC Traditional name
dodecyl dodecanoate
lauryl laurate
Registration numbers
PubChem CID
84113
PubChem SID
162225305
85340733
MDL Number
MFCD00056150
CAS Number
13945-76-1
EC Number
237-725-9
Agricola Citation
IND500618446
CHEBI ID
CHEBI:141061
ACToR Database
13945-76-1
BRENDA Database
2.3.1.75
SureChEMBL Database
SCHEMBL432184
PubMed Citation Links
3814136
MetaboLights Database
MTBLS437
LIPID MAPS Instance
LMFA07010031
CompTox Database
DTXSID6065684
Reaxys Registry
1713328
Properties
Safety Information
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Source
German water hazard class
3
Source
Molecule Details
ChEBI
CHEBI:141061
A dodecanoate ester resulting from the formal condensation of the carboxy group of dodecanoic acid with the hydroxy group of dodecan-1-ol.
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
PubChem CID
•
PubChem SID
•
MDL Number
•
CAS Number
•
EC Number
•
Agricola Citation
•
CHEBI ID
•
ACToR Database
•
BRENDA Database
•
SureChEMBL Database
•
PubMed Citation Links
•
MetaboLights Database
•
LIPID MAPS Instance
•
CompTox Database
•
Reaxys Registry