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16887-36-8 molecular structure
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adamantan-1-yl 2-methylprop-2-enoate

ChemBase ID: 88607
Molecular Formular: C14H20O2
Molecular Mass: 220.3074
Monoisotopic Mass: 220.14632988
SMILES and InChIs

SMILES:
O(C12CC3CC(C1)CC(C3)C2)C(=O)C(=C)C
Canonical SMILES:
O=C(C(=C)C)OC12CC3CC(C2)CC(C1)C3
InChI:
InChI=1S/C14H20O2/c1-9(2)13(15)16-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,1,3-8H2,2H3
InChIKey:
MZVABYGYVXBZDP-UHFFFAOYSA-N

Cite this record

CBID:88607 http://www.chembase.cn/molecule-88607.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
adamantan-1-yl 2-methylprop-2-enoate
IUPAC Traditional name
adamantan-1-yl 2-methylprop-2-enoate
Synonyms
Tricyclo[3.3.1.1~3,7~]dec-1-yl 2-methylprop-2-enoate
1-[(2-Methylacryloyl)oxy]adamantane
Adamant-1-yl methacrylate
CAS Number
16887-36-8
MDL Number
MFCD08703330
PubChem SID
162075529
PubChem CID
10955092

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR41031 external link Add to cart Please log in.
Data Source Data ID
PubChem 10955092 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3991315  LogD (pH = 7.4) 3.3991315 
Log P 3.3991315  Molar Refractivity 62.0344 cm3
Polarizability 24.85028 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
113°C/3mm expand Show data source
Density
1.0495 expand Show data source
Refractive Index
1.4992 expand Show data source
Storage Warning
Harmful/Irritant/Light Sensitive expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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