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625-65-0 molecular structure
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2,4-dimethylpent-2-ene

ChemBase ID: 112338
Molecular Formular: C7H14
Molecular Mass: 98.18606
Monoisotopic Mass: 98.10955045
SMILES and InChIs

SMILES:
CC(C)C=C(C)C
Canonical SMILES:
CC(C=C(C)C)C
InChI:
InChI=1S/C7H14/c1-6(2)5-7(3)4/h5-6H,1-4H3
InChIKey:
VVCFYASOGFVJFN-UHFFFAOYSA-N

Cite this record

CBID:112338 http://www.chembase.cn/molecule-112338.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dimethylpent-2-ene
IUPAC Traditional name
2-pentene, 2,4-dimethyl-
Synonyms
2,4-DIMETHYL-2-PENTENE
CAS Number
625-65-0
EC Number
210-905-4
PubChem SID
162097335
PubChem CID
12260

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05223544 external link Add to cart Please log in.
Data Source Data ID
PubChem 12260 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.855028  LogD (pH = 7.4) 2.855028 
Log P 2.855028  Molar Refractivity 34.7544 cm3
Polarizability 13.44952 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-127°C expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:10 expand Show data source
Safety Statements
S:9-16-29 expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05223544 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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