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2270-57-7 molecular structure
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3,7-dimethyloct-6-en-3-ol

ChemBase ID: 291859
Molecular Formular: C10H20O
Molecular Mass: 156.2652
Monoisotopic Mass: 156.15141526
SMILES and InChIs

SMILES:
CCC(C)(O)CCC=C(C)C
Canonical SMILES:
CCC(CCC=C(C)C)(O)C
InChI:
InChI=1S/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h7,11H,5-6,8H2,1-4H3
InChIKey:
JRTBBCBDKSRRCY-UHFFFAOYSA-N

Cite this record

CBID:291859 http://www.chembase.cn/molecule-291859.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,7-dimethyloct-6-en-3-ol
IUPAC Traditional name
3,7-dimethyloct-6-en-3-ol
Synonyms
3,7-Dimethyloct-6-en-3-ol
CAS Number
2270-57-7
MDL Number
MFCD00059140
PubChem SID
180677390
PubChem CID
86749

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD235648 Please log in.
Data Source Data ID
PubChem 86749 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.212069  H Acceptors
H Donor LogD (pH = 5.5) 2.7955728 
LogD (pH = 7.4) 2.795573  Log P 2.795573 
Molar Refractivity 50.3165 cm3 Polarizability 19.548393 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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