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36840-85-4 molecular structure
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5-(prop-2-enoyloxy)pentyl prop-2-enoate

ChemBase ID: 293994
Molecular Formular: C11H16O4
Molecular Mass: 212.24234
Monoisotopic Mass: 212.10485899
SMILES and InChIs

SMILES:
C=CC(=O)OCCCCCOC(=O)C=C
Canonical SMILES:
C=CC(=O)OCCCCCOC(=O)C=C
InChI:
InChI=1S/C11H16O4/c1-3-10(12)14-8-6-5-7-9-15-11(13)4-2/h3-4H,1-2,5-9H2
InChIKey:
XAMCLRBWHRRBCN-UHFFFAOYSA-N

Cite this record

CBID:293994 http://www.chembase.cn/molecule-293994.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(prop-2-enoyloxy)pentyl prop-2-enoate
IUPAC Traditional name
5-(prop-2-enoyloxy)pentyl prop-2-enoate
Synonyms
Pentane-1,5-diyl diacrylate
CAS Number
36840-85-4
MDL Number
MFCD00078444
PubChem SID
180679525
PubChem CID
93195

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD54989 Please log in.
Data Source Data ID
PubChem 93195 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6747155  LogD (pH = 7.4) 2.6747155 
Log P 2.6747155  Molar Refractivity 56.263 cm3
Polarizability 22.059841 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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