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77189-05-0 molecular structure
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2-(2-ethylhexyl)cyclohexan-1-ol

ChemBase ID: 106991
Molecular Formular: C14H28O
Molecular Mass: 212.37152
Monoisotopic Mass: 212.21401552
SMILES and InChIs

SMILES:
CCCCC(CC)CC1CCCCC1O
Canonical SMILES:
CCCCC(CC1CCCCC1O)CC
InChI:
InChI=1S/C14H28O/c1-3-5-8-12(4-2)11-13-9-6-7-10-14(13)15/h12-15H,3-11H2,1-2H3
InChIKey:
NAPNXSKYWJFVIE-UHFFFAOYSA-N

Cite this record

CBID:106991 http://www.chembase.cn/molecule-106991.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-ethylhexyl)cyclohexan-1-ol
IUPAC Traditional name
2-(2-ethylhexyl)cyclohexan-1-ol
Synonyms
2-(β-ETHYLHEXYL)-1-CYCLOHEXANOL
CAS Number
77189-05-0
PubChem SID
162093745
PubChem CID
246932

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05202157 external link Add to cart Please log in.
Data Source Data ID
PubChem 246932 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.902473  H Acceptors
H Donor LogD (pH = 5.5) 4.600097 
LogD (pH = 7.4) 4.600097  Log P 4.600097 
Molar Refractivity 65.9017 cm3 Polarizability 26.429098 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05202157 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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