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10544-95-3 molecular structure
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4-methyloctadecane

ChemBase ID: 109207
Molecular Formular: C19H40
Molecular Mass: 268.5209
Monoisotopic Mass: 268.31300128
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCC(C)CCC
Canonical SMILES:
CCCCCCCCCCCCCCC(CCC)C
InChI:
InChI=1S/C19H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-19(3)17-5-2/h19H,4-18H2,1-3H3
InChIKey:
GEGZZJBPFKEDHM-UHFFFAOYSA-N

Cite this record

CBID:109207 http://www.chembase.cn/molecule-109207.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyloctadecane
IUPAC Traditional name
4-methyloctadecane
Synonyms
4-METHYLOCTADECANE
CAS Number
10544-95-3
PubChem SID
162094752
PubChem CID
517866

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05210215 external link Add to cart Please log in.
Data Source Data ID
PubChem 517866 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 8.752981  LogD (pH = 7.4) 8.752981 
Log P 8.752981  Molar Refractivity 89.1688 cm3
Polarizability 35.83962 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 15  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 - 05210215 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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