Home > Compound List > Compound details
26730-12-1 molecular structure
click picture or here to close

4-methyltridecane

ChemBase ID: 111834
Molecular Formular: C14H30
Molecular Mass: 198.388
Monoisotopic Mass: 198.23475096
SMILES and InChIs

SMILES:
CCCCCCCCCC(C)CCC
Canonical SMILES:
CCCCCCCCCC(CCC)C
InChI:
InChI=1S/C14H30/c1-4-6-7-8-9-10-11-13-14(3)12-5-2/h14H,4-13H2,1-3H3
InChIKey:
BPHJCXVZYVVFBT-UHFFFAOYSA-N

Cite this record

CBID:111834 http://www.chembase.cn/molecule-111834.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyltridecane
IUPAC Traditional name
4-methyltridecane
Synonyms
4-METHYLTRIDECANE
CAS Number
26730-12-1
PubChem SID
162097294
PubChem CID
117325

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05221223 external link Add to cart Please log in.
Data Source Data ID
PubChem 117325 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.5301375  LogD (pH = 7.4) 6.5301375 
Log P 6.5301375  Molar Refractivity 66.1638 cm3
Polarizability 26.604607 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 10  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
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05221223 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