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4501-40-0 molecular structure
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1-cyclohexyl-2-(propan-2-yl)benzene

ChemBase ID: 109938
Molecular Formular: C15H22
Molecular Mass: 202.33518
Monoisotopic Mass: 202.1721507
SMILES and InChIs

SMILES:
CC(C)c1ccccc1C1CCCCC1
Canonical SMILES:
CC(c1ccccc1C1CCCCC1)C
InChI:
InChI=1S/C15H22/c1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13/h6-7,10-13H,3-5,8-9H2,1-2H3
InChIKey:
UOLAMFQXDMTVDS-UHFFFAOYSA-N

Cite this record

CBID:109938 http://www.chembase.cn/molecule-109938.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclohexyl-2-(propan-2-yl)benzene
IUPAC Traditional name
1-cyclohexyl-2-isopropylbenzene
Synonyms
CYCLOHEXYLCUMENE TECHNICAL GRADE (MIX o,m,p)
CAS Number
4501-40-0
PubChem SID
162096410
PubChem CID
244010

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05213083 external link Add to cart Please log in.
Data Source Data ID
PubChem 244010 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.3332443  LogD (pH = 7.4) 5.3332443 
Log P 5.3332443  Molar Refractivity 66.4404 cm3
Polarizability 26.102913 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Grade
TECHNICAL expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05213083 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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