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2432-90-8 molecular structure
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1,2-didodecyl benzene-1,2-dicarboxylate

ChemBase ID: 107139
Molecular Formular: C32H54O4
Molecular Mass: 502.76876
Monoisotopic Mass: 502.40221021
SMILES and InChIs

SMILES:
CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCC
InChI:
InChI=1S/C32H54O4/c1-3-5-7-9-11-13-15-17-19-23-27-35-31(33)29-25-21-22-26-30(29)32(34)36-28-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26H,3-20,23-24,27-28H2,1-2H3
InChIKey:
PUFGCEQWYLJYNJ-UHFFFAOYSA-N

Cite this record

CBID:107139 http://www.chembase.cn/molecule-107139.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-didodecyl benzene-1,2-dicarboxylate
IUPAC Traditional name
didodecylphthalate
Synonyms
DIDODECYL PHTHALATE
CAS Number
2432-90-8
EC Number
219-415-5
PubChem SID
162094850
PubChem CID
17082

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05202712 external link Add to cart Please log in.
Data Source Data ID
PubChem 17082 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 11.7410965  LogD (pH = 7.4) 11.7410965 
Log P 11.7410965  Molar Refractivity 151.4718 cm3
Polarizability 59.704517 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds 26  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
TI0930000 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 - 05202712 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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