Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02273"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| drugbank:description |
"
18479-58-8
experimental
This compound belongs to the tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
Tertiary Alcohols
Organic Compounds
Organooxygen Compounds
Alcohols and Polyols
Tertiary Alcohols
Polyamines
polyamine
logP
3.3
ALOGPS
logS
-3.2
ALOGPS
Water Solubility
1.02e-01 g/l
ALOGPS
logP
2.82
ChemAxon
IUPAC Name
(6S)-2,6-dimethyloct-7-en-2-ol
ChemAxon
Traditional IUPAC Name
2,6-dimethyl-7-octen-2-ol
ChemAxon
Molecular Weight
156.2652
ChemAxon
Monoisotopic Weight
156.151415262
ChemAxon
SMILES
C[C@@H](CCCC(C)(C)O)C=C
ChemAxon
Molecular Formula
C10H20O
ChemAxon
InChI
InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3/t9-/m1/s1
ChemAxon
InChIKey
InChIKey=XSNQECSCDATQEL-SECBINFHSA-N
ChemAxon
Polar Surface Area (PSA)
20.23
ChemAxon
Refractivity
49.59
ChemAxon
Polarizability
19.92
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
18.53
ChemAxon
pKa (strongest basic)
-1.3
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
1712076
PubChem Substance
46507697
ChemSpider
27067
PDB
DHM
"
|
| rdf:type | |
| rdfs:label |
"2,6-Dimethyl-7-Octen-2-Ol"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object