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56977-08-3 molecular structure
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1,5-dibenzyl pentanedioate

ChemBase ID: 166901
Molecular Formular: C19H20O4
Molecular Mass: 312.3597
Monoisotopic Mass: 312.13615912
SMILES and InChIs

SMILES:
c1ccccc1COC(=O)CCCC(=O)OCc1ccccc1
Canonical SMILES:
O=C(OCc1ccccc1)CCCC(=O)OCc1ccccc1
InChI:
InChI=1S/C19H20O4/c20-18(22-14-16-8-3-1-4-9-16)12-7-13-19(21)23-15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2
InChIKey:
PLZHJBTWPOYHHY-UHFFFAOYSA-N

Cite this record

CBID:166901 http://www.chembase.cn/molecule-166901.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,5-dibenzyl pentanedioate
IUPAC Traditional name
1,5-dibenzyl pentanedioate
Synonyms
Pentanedioic Acid 1,5-Bis(phenylmethyl) Ester
Dibenzyl Pentanedioate
Glutaric Acid Dibenzyl Ester
1,5-Dibenzyl Glutarate
CAS Number
56977-08-3
PubChem SID
162261034
PubChem CID
5018465

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D417650 external link Add to cart
PubChem 5018465 external link
Data Source Data ID Price
TRC
D417650 external link Add to cart Please log in.
Data Source Data ID
PubChem 5018465 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.78682  LogD (pH = 7.4) 3.78682 
Log P 3.78682  Molar Refractivity 86.9014 cm3
Polarizability 34.33255 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Apperance
Colourless Oil expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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