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209982-56-9 molecular structure
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2-ethyladamantan-2-yl 2-methylprop-2-enoate

ChemBase ID: 88606
Molecular Formular: C16H24O2
Molecular Mass: 248.36056
Monoisotopic Mass: 248.17763001
SMILES and InChIs

SMILES:
O(C1(C2CC3CC1CC(C3)C2)CC)C(=O)C(=C)C
Canonical SMILES:
CCC1(OC(=O)C(=C)C)C2CC3CC1CC(C2)C3
InChI:
InChI=1S/C16H24O2/c1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11/h11-14H,2,4-9H2,1,3H3
InChIKey:
DCTVCFJTKSQXED-UHFFFAOYSA-N

Cite this record

CBID:88606 http://www.chembase.cn/molecule-88606.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethyladamantan-2-yl 2-methylprop-2-enoate
IUPAC Traditional name
2-ethyladamantan-2-yl 2-methylprop-2-enoate
Synonyms
2-Ethyltricyclo[3.3.1.1~3,7~]dec-2-yl 2-methylprop-2-enoate
EADM
2-Ethyladamant-2-yl methacrylate
CAS Number
209982-56-9
PubChem SID
162075528
PubChem CID
9813645

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 9813645 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.286627  LogD (pH = 7.4) 4.286627 
Log P 4.286627  Molar Refractivity 71.03 cm3
Polarizability 28.535233 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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