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1560-93-6 molecular structure
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2-methylpentadecane

ChemBase ID: 111817
Molecular Formular: C16H34
Molecular Mass: 226.44116
Monoisotopic Mass: 226.26605109
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCC(C)C
Canonical SMILES:
CCCCCCCCCCCCCC(C)C
InChI:
InChI=1S/C16H34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3/h16H,4-15H2,1-3H3
InChIKey:
BANXPJUEBPWEOT-UHFFFAOYSA-N

Cite this record

CBID:111817 http://www.chembase.cn/molecule-111817.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methylpentadecane
IUPAC Traditional name
2-methylpentadecane
Synonyms
2-METHYLPENTADECANE
CAS Number
1560-93-6
PubChem SID
162097123
PubChem CID
15267

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05221163 external link Add to cart Please log in.
Data Source Data ID
PubChem 15267 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.419275  LogD (pH = 7.4) 7.419275 
Log P 7.419275  Molar Refractivity 75.3658 cm3
Polarizability 30.298597 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 12  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Flammable Flammable (F) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:18 expand Show data source
Safety Statements
S:29 expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05221163 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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