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MFCD00671857 molecular structure
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ethyl 7-methyloct-7-enoate

ChemBase ID: 73702
Molecular Formular: C11H20O2
Molecular Mass: 184.2753
Monoisotopic Mass: 184.14632988
SMILES and InChIs

SMILES:
O(C(=O)CCCCCC(=C)C)CC
Canonical SMILES:
CCOC(=O)CCCCCC(=C)C
InChI:
InChI=1S/C11H20O2/c1-4-13-11(12)9-7-5-6-8-10(2)3/h2,4-9H2,1,3H3
InChIKey:
RYHNRWRFYAIXQS-UHFFFAOYSA-N

Cite this record

CBID:73702 http://www.chembase.cn/molecule-73702.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 7-methyloct-7-enoate
IUPAC Traditional name
ethyl 7-methyloct-7-enoate
Synonyms
Ethyl 7-methyloct-7-enoate 97%
MDL Number
MFCD00671857
PubChem SID
162038621
PubChem CID
24721709

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR01826 external link Add to cart Please log in.
Data Source Data ID
PubChem 24721709 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1421087  LogD (pH = 7.4) 3.1421087 
Log P 3.1421087  Molar Refractivity 54.1194 cm3
Polarizability 21.513336 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Flammable expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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