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51276-34-7 molecular structure
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(3E)-2,6-dimethylocta-3,7-diene-2,6-diol

ChemBase ID: 304725
Molecular Formular: C10H18O2
Molecular Mass: 170.24872
Monoisotopic Mass: 170.13067982
SMILES and InChIs

SMILES:
CC(/C=C/CC(C=C)(C)O)(C)O
Canonical SMILES:
C=CC(C/C=C/C(O)(C)C)(O)C
InChI:
InChI=1S/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5-7,11-12H,1,8H2,2-4H3/b7-6+
InChIKey:
QEOHJVNDENHRCH-VOTSOKGWSA-N

Cite this record

CBID:304725 http://www.chembase.cn/molecule-304725.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3E)-2,6-dimethylocta-3,7-diene-2,6-diol
IUPAC Traditional name
(3E)-2,6-dimethylocta-3,7-diene-2,6-diol
Synonyms
2,6-Dimethyl-3,7-octadiene-2,6-diol
CAS Number
51276-34-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP00983
Data Source Data ID Price
BioBioPha
BBP00983 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.781254  H Acceptors
H Donor LogD (pH = 5.5) 1.375943 
LogD (pH = 7.4) 1.3759431  Log P 1.3759431 
Molar Refractivity 52.1553 cm3 Polarizability 19.905123 Å3
Polar Surface Area 40.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Apperance
Oil expand Show data source
Purity
96.0 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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