Chemical Properties of (+)-(1S,3aR,7S,7aR)-2,3,3a,4,5,6,7,7a-Octahydro-7,7a-dimethyl-1-(2-methylpropanolyl)-1H-indene

(+)-(1S,3aR,7S,7aR)-2,3,3a,4,5,6,7,7a-Octahydro-7,7a-dimethyl-1-(2-methylpropanolyl)-1H-indene

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InChI
InChI=1S/C15H28O/c1-10(2)14(16)13-9-8-12-7-5-6-11(3)15(12,13)4/h10-14,16H,5-9H2,1-4H3/t11-,12+,13+,14?,15-/m1/s1
InChI Key
OLSZYGCUKSYWHW-YKYMWBLQSA-N
Formula
C15H28O
SMILES
CC(C)C(O)C1CCC2CCCC(C)C21C
Molecular Weight1
224.38
Sources

Physical Properties

Property Value Unit Source
Δf -1.99 kJ/mol Joback Calculated Property
Δfgas -414.04 kJ/mol Joback Calculated Property
Δfus 17.46 kJ/mol Joback Calculated Property
Δvap 63.46 kJ/mol Joback Calculated Property
logPoct/wat 3.86 Crippen Calculated Property
Pc 2000.12 kPa Joback Calculated Property
Tboil 651.09 K Joback Calculated Property
Tc 851.50 K Joback Calculated Property
Tfus 330.37 K Joback Calculated Property
Vc 0.77 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 618.09 J/mol×K 651.09 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-OH (alcohol) 1
>C< (ring) 1
-CH3 4
>CH- (ring) 3
-CH2- (ring) 5

Similar Compounds

Pregnane-3,20-diol, (3«alpha»,5«beta»)-. Pregnane-3,20-diol, (3«alpha»,5«beta»,20S)-. Allopregnane-3«alpha»,20«alpha»-diol. 5«beta»-Pregnan-3«beta»,20«alpha»-diol. 5«beta»-Pregnan-3«beta»,20«beta»-diol. 5«alpha»-Pregnan-3«beta»,20«beta»-diol. Isolongifolan-8-ol. 5-Isocedranol. Neocedranol. Cedranol. Bicyclo[2.2.1]heptan-2-ol, 4,7,7-trimethyl-. Tetrahydrosmilagenin. (3R,3aR,5S,6R,7aR)-3,6,7,7-Tetramethyloctahydro-3a,6-ethanoinden-5-ol. Khusian-1-ol. Khusian-2-ol.

Find more compounds similar to (+)-(1S,3aR,7S,7aR)-2,3,3a,4,5,6,7,7a-Octahydro-7,7a-dimethyl-1-(2-methylpropanolyl)-1H-indene.

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