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5337-72-4 molecular structure
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2,6-dimethylcyclohexan-1-ol

ChemBase ID: 107327
Molecular Formular: C8H16O
Molecular Mass: 128.21204
Monoisotopic Mass: 128.12011513
SMILES and InChIs

SMILES:
CC1CCCC(C)C1O
Canonical SMILES:
CC1CCCC(C1O)C
InChI:
InChI=1S/C8H16O/c1-6-4-3-5-7(2)8(6)9/h6-9H,3-5H2,1-2H3
InChIKey:
MOISVRZIQDQVPF-UHFFFAOYSA-N

Cite this record

CBID:107327 http://www.chembase.cn/molecule-107327.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dimethylcyclohexan-1-ol
IUPAC Traditional name
2,6-dimethylcyclohexanol
Synonyms
2,6-DIMETHYLCYCLOHEXANOL
CAS Number
5337-72-4
EC Number
226-264-9
PubChem SID
162093432
PubChem CID
21428

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05203342 external link Add to cart Please log in.
Data Source Data ID
PubChem 21428 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.303999  H Acceptors
H Donor LogD (pH = 5.5) 2.010639 
LogD (pH = 7.4) 2.0106392  Log P 2.0106392 
Molar Refractivity 38.2187 cm3 Polarizability 15.356882 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 - 05203342 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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