Home > Compound List > Compound details
6699-37-2 molecular structure
click picture or here to close

naphthalen-2-yl hexadecanoate

ChemBase ID: 102290
Molecular Formular: C26H38O2
Molecular Mass: 382.57872
Monoisotopic Mass: 382.28718046
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1
Canonical SMILES:
CCCCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)cccc2
InChI:
InChI=1S/C26H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26(27)28-25-21-20-23-17-15-16-18-24(23)22-25/h15-18,20-22H,2-14,19H2,1H3
InChIKey:
KTCOXWREQWKNAA-UHFFFAOYSA-N

Cite this record

CBID:102290 http://www.chembase.cn/molecule-102290.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
naphthalen-2-yl hexadecanoate
IUPAC Traditional name
naphthalen-2-yl hexadecanoate
Synonyms
Hexadecanoic acid 2-naphthyl ester
β-NAPHTHYL PALMITATE
CAS Number
6699-37-2
PubChem SID
162088422
PubChem CID
13188830

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 13188830 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 9.049912  LogD (pH = 7.4) 9.049912 
Log P 9.049912  Molar Refractivity 118.0805 cm3
Polarizability 48.15834 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds 16  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
0°C expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05221152 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02100989 external link
Crystalline
β-naphthol-free

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