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73815-21-1 molecular structure
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2,6-dimethyloct-7-ene-2,3,6-triol

ChemBase ID: 304477
Molecular Formular: C10H20O3
Molecular Mass: 188.264
Monoisotopic Mass: 188.1412445
SMILES and InChIs

SMILES:
CC(C(CCC(C=C)(C)O)O)(C)O
Canonical SMILES:
C=CC(CCC(C(O)(C)C)O)(O)C
InChI:
InChI=1S/C10H20O3/c1-5-10(4,13)7-6-8(11)9(2,3)12/h5,8,11-13H,1,6-7H2,2-4H3
InChIKey:
CNYFGLAROLNGDG-UHFFFAOYSA-N

Cite this record

CBID:304477 http://www.chembase.cn/molecule-304477.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dimethyloct-7-ene-2,3,6-triol
IUPAC Traditional name
2,6-dimethyloct-7-ene-2,3,6-triol
Synonyms
2,6-Dimethyl-7-octene-2,3,6-triol
CAS Number
73815-21-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP00672
Data Source Data ID Price
BioBioPha
BBP00672 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.789625  H Acceptors
H Donor LogD (pH = 5.5) 0.5070536 
LogD (pH = 7.4) 0.5070535  Log P 0.5070536 
Molar Refractivity 52.5542 cm3 Polarizability 20.76941 Å3
Polar Surface Area 60.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Oil expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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