2,6-Dimethyl-7-Octen-2-Ol

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as 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

Calculated Property

kind Value Source
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 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon