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84560-00-9 molecular structure
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1-pentylcyclopentan-1-ol

ChemBase ID: 112040
Molecular Formular: C10H20O
Molecular Mass: 156.2652
Monoisotopic Mass: 156.15141526
SMILES and InChIs

SMILES:
CCCCCC1(O)CCCC1
Canonical SMILES:
CCCCCC1(O)CCCC1
InChI:
InChI=1S/C10H20O/c1-2-3-4-7-10(11)8-5-6-9-10/h11H,2-9H2,1H3
InChIKey:
LPRXLSZAZXWDMY-UHFFFAOYSA-N

Cite this record

CBID:112040 http://www.chembase.cn/molecule-112040.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-pentylcyclopentan-1-ol
IUPAC Traditional name
1-pentylcyclopentan-1-ol
Synonyms
n-AMYL CYCLOPENTANOL
1-(n-Amyl)cyclopentanol
1-(n-Pentyl)cyclopentanol
1-(正戊基)环戊醇
CAS Number
84560-00-9
194800-16-3
MDL Number
MFCD00019284
PubChem SID
162097193
PubChem CID
549095

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 549095 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.429546  H Acceptors
H Donor LogD (pH = 5.5) 2.9729297 
LogD (pH = 7.4) 2.97293  Log P 2.97293 
Molar Refractivity 47.6397 cm3 Polarizability 19.046404 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
82°C(180°F) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335-H227 expand Show data source
GHS Precautionary statements
P210-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05222286 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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