Home > Compound List > Compound details
6624-79-9 molecular structure
click picture or here to close

dotriacontan-1-ol

ChemBase ID: 125155
Molecular Formular: C32H66O
Molecular Mass: 466.86584
Monoisotopic Mass: 466.51136673
SMILES and InChIs

SMILES:
OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChI:
InChI=1S/C32H66O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33/h33H,2-32H2,1H3
InChIKey:
QOEHNLSDMADWEF-UHFFFAOYSA-N

Cite this record

CBID:125155 http://www.chembase.cn/molecule-125155.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dotriacontan-1-ol
IUPAC Traditional name
dotriacontanol
Synonyms
1-Dotriacontanol
CAS Number
6624-79-9
PubChem SID
162219505
PubChem CID
96117
Chemspider ID
86761
Unique Ingredient Identifier
82J5YYF71H
Wikipedia Title
1-Dotriacontanol

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.843943  H Acceptors
H Donor LogD (pH = 5.5) 13.253244 
LogD (pH = 7.4) 13.253244  Log P 13.253244 
Molar Refractivity 150.9629 cm3 Polarizability 60.410194 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds 30 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

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