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39182-59-7

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Basic Information
CAS No.: 39182-59-7
Name: Corey PG-lactone diol
Article Data: 17
Molecular Structure:
Molecular Structure of 39182-59-7 (Corey PG-lactone diol)
Formula: C15H24O4
Molecular Weight: 268.353
Synonyms: 2H-Cyclopenta[b]furan-2-one,hexahydro-5-hydroxy-4-(3-hydroxy-1-octenyl)-, [3aR-[3aa,4a(1E,3R*),5b,6aa]]-;2H-Cyclopenta[b]furan-2-one,hexahydro-5-hydroxy-4-[(1E,3R)-3-hydroxy-1-octenyl]-, (3aR,4R,5R,6aS)- (9CI);Corey PG-lactone diol;
Density: 1.199 g/cm3
Boiling Point: 430.072 °C at 760 mmHg
Flash Point: 156.399 °C
PSA: 66.76000
LogP: 1.79630
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Specification

The Corey PG-lactone diol, with the CAS registry number 39182-59-7, is also known as 2H-Cyclopenta[b]furan-2-one, hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]-, (3aR,4R,5R,6aS)-. This chemical's molecular formula is C15H24O4 and molecular weight is 268.35. Its IUPAC name and systematic name are the same which is called (3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Physical properties of Corey PG-lactone diol: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.942; (4)ACD/LogD (pH 7.4): 1.942; (5)ACD/BCF (pH 5.5): 17.622; (6)ACD/BCF (pH 7.4): 17.622; (7)ACD/KOC (pH 5.5): 271.364; (8)ACD/KOC (pH 7.4): 271.364; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 74.064 cm3; (14)Molar Volume: 223.781 cm3; (15)Surface Tension: 54.78 dyne/cm; (16)Density: 1.199 g/cm3; (17)Flash Point: 156.399 °C; (18)Enthalpy of Vaporization: 79.146 kJ/mol; (19)Boiling Point: 430.072 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)O)O
(2)InChI: InChI=1/C15H24O4/c1-2-3-4-5-10(16)6-7-11-12-8-15(18)19-14(12)9-13(11)17/h6-7,10-14,16-17H,2-5,8-9H2,1H3/b7-6+/t10-,11+,12+,13+,14-/m0/s1
(3)InChIKey: UMDQPEMZJHAFNL-FNLFQXNBBJ