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26532-23-0 molecular structure
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2-[(1Z)-3,3-dimethylcyclohexylidene]ethan-1-ol

ChemBase ID: 866353
Molecular Formular: C10H18O
Molecular Mass: 154.24932
Monoisotopic Mass: 154.1357652
SMILES and InChIs

SMILES:
CC1(C)CCC/C(=C/CO)/C1
Canonical SMILES:
OC/C=C\1/CCCC(C1)(C)C
InChI:
InChI=1S/C10H18O/c1-10(2)6-3-4-9(8-10)5-7-11/h5,11H,3-4,6-8H2,1-2H3/b9-5-
InChIKey:
SHYLMMBHTKLAJS-UITAMQMPSA-N

Cite this record

CBID:866353 http://www.chembase.cn/molecule-866353.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(1Z)-3,3-dimethylcyclohexylidene]ethan-1-ol
IUPAC Traditional name
2-[(1Z)-3,3-dimethylcyclohexylidene]ethanol
Synonyms
(Z)-3,3-DIMETHYLCYCLOHEXYLIDENEETHANOL
(2Z)-2-(3,3-二甲基环己亚基)-乙醇
CAS Number
26532-23-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
T&W Pharma. TW000076 external link Add to cart
Data Source Data ID Price
T&W Pharma.
TW000076 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.295446  H Acceptors
H Donor LogD (pH = 5.5) 2.2997153 
LogD (pH = 7.4) 2.2997153  Log P 2.2997153 
Molar Refractivity 48.404 cm3 Polarizability 18.809866 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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