Home > Compound List > Compound details
219726-61-1 molecular structure
click picture or here to close

(2-methylprop-2-en-1-yl)cyclopentane

ChemBase ID: 112650
Molecular Formular: C9H16
Molecular Mass: 124.22334
Monoisotopic Mass: 124.12520051
SMILES and InChIs

SMILES:
CC(=C)CC1CCCC1
Canonical SMILES:
CC(=C)CC1CCCC1
InChI:
InChI=1S/C9H16/c1-8(2)7-9-5-3-4-6-9/h9H,1,3-7H2,2H3
InChIKey:
AYPUQHOHNKLMOW-UHFFFAOYSA-N

Cite this record

CBID:112650 http://www.chembase.cn/molecule-112650.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-methylprop-2-en-1-yl)cyclopentane
IUPAC Traditional name
(2-methylprop-2-en-1-yl)cyclopentane
Synonyms
2-METHYL-3-CYCLOPENTYL-1-PROPENE
3-Cyclopentyl-2-methyl-1-propene
Methallylcyclopentane
甲烯丙基环戊烷
CAS Number
219726-61-1
MDL Number
MFCD00045430
PubChem SID
162097956
PubChem CID
548977

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 548977 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.338373  LogD (pH = 7.4) 3.338373 
Log P 3.338373  Molar Refractivity 41.0817 cm3
Polarizability 16.394049 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
UN3295 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
3 expand Show data source
Packing Group
III expand Show data source
Risk Statements
10-36/37/38 expand Show data source
Safety Statements
23-26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Hazard statements
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
Purity
99% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05225163 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle