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5138-86-3 molecular structure
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2-ethylbutyl 2-methylprop-2-enoate

ChemBase ID: 106743
Molecular Formular: C10H18O2
Molecular Mass: 170.24872
Monoisotopic Mass: 170.13067982
SMILES and InChIs

SMILES:
CCC(CC)COC(=O)C(=C)C
Canonical SMILES:
CCC(COC(=O)C(=C)C)CC
InChI:
InChI=1S/C10H18O2/c1-5-9(6-2)7-12-10(11)8(3)4/h9H,3,5-7H2,1-2,4H3
InChIKey:
CHNGPLVDGWOPMD-UHFFFAOYSA-N

Cite this record

CBID:106743 http://www.chembase.cn/molecule-106743.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethylbutyl 2-methylprop-2-enoate
IUPAC Traditional name
2-ethylbutyl 2-methylprop-2-enoate
Synonyms
2-ETHYLBUTYL METHACRYLATE
CAS Number
5138-86-3
PubChem SID
162089091
PubChem CID
78817

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05201275 external link Add to cart Please log in.
Data Source Data ID
PubChem 78817 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4411657  LogD (pH = 7.4) 3.4411657 
Log P 3.4411657  Molar Refractivity 49.3638 cm3
Polarizability 19.670214 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05201275 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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