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249562-06-9 molecular structure
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2-methyladamantan-2-yl prop-2-enoate

ChemBase ID: 796539
Molecular Formular: C14H20O2
Molecular Mass: 220.3074
Monoisotopic Mass: 220.14632988
SMILES and InChIs

SMILES:
C(=O)(OC1(C2CC3CC1CC(C3)C2)C)C=C
Canonical SMILES:
C=CC(=O)OC1(C)C2CC3CC1CC(C2)C3
InChI:
InChI=1S/C14H20O2/c1-3-13(15)16-14(2)11-5-9-4-10(7-11)8-12(14)6-9/h3,9-12H,1,4-8H2,2H3
InChIKey:
YRPLSAWATHBYFB-UHFFFAOYSA-N

Cite this record

CBID:796539 http://www.chembase.cn/molecule-796539.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyladamantan-2-yl prop-2-enoate
IUPAC Traditional name
2-methyladamantan-2-yl prop-2-enoate
Synonyms
2-MethyladaMantan-2-yl acrylate
CAS Number
249562-06-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O3294 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O3294 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3685539  LogD (pH = 7.4) 3.3685539 
Log P 3.3685539  Molar Refractivity 62.1489 cm3
Polarizability 24.85028 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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