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2847-72-5 molecular structure
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4-methyldecane

ChemBase ID: 111808
Molecular Formular: C11H24
Molecular Mass: 156.30826
Monoisotopic Mass: 156.18780077
SMILES and InChIs

SMILES:
CCCCCCC(C)CCC
Canonical SMILES:
CCCCCCC(CCC)C
InChI:
InChI=1S/C11H24/c1-4-6-7-8-10-11(3)9-5-2/h11H,4-10H2,1-3H3
InChIKey:
DVWZNKLWPILULD-UHFFFAOYSA-N

Cite this record

CBID:111808 http://www.chembase.cn/molecule-111808.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyldecane
IUPAC Traditional name
decane, 4-methyl-
Synonyms
4-METHYL DECANE
CAS Number
2847-72-5
PubChem SID
162097103
PubChem CID
17835

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05221119 external link Add to cart Please log in.
Data Source Data ID
PubChem 17835 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1964316  LogD (pH = 7.4) 5.1964316 
Log P 5.1964316  Molar Refractivity 52.360798 cm3
Polarizability 21.063684 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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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05221119 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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