Cas no 19915-11-8 (rac-(3aR,6aS)-Octahydropentalen-2-one, cis)

rac-(3aR,6aS)-Octahydropentalen-2-one, cis structure
19915-11-8 structure
Product Name:rac-(3aR,6aS)-Octahydropentalen-2-one, cis
CAS No:19915-11-8
MF:C8H12O
MW:124.180282592773
CID:202655
PubChem ID:140631
Update Time:2024-02-27

rac-(3aR,6aS)-Octahydropentalen-2-one, cis Chemical and Physical Properties

Names and Identifiers

    • 2(1H)-Pentalenone,hexahydro-, (3aR,6aS)-rel-
    • 3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
    • cis-Bicyclo(3.3.0)-octan-2-one
    • hexahydropentalen-1(2H)-one
    • 2(1H)-Pentalenone, hexahydro-, (3aR,6aS)-rel-
    • rac-(3aR,6aS)-Octahydropentalen-2-one, cis
    • Inchi： 1S/C8H12O/c9-8-4-6-2-1-3-7(6)5-8/h6-7H,1-5H2/t6-,7+
    • InChI Key： ZOUYMLXOFDNVRK-KNVOCYPGSA-N
    • SMILES： C1[C@@]2([H])[C@]([H])(CCC2)CC1=O

Computed Properties

  • Exact Mass: 124.08886
  • Monoisotopic Mass: 124.088815
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 140
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Density: 1.0084
  • Melting Point: -27°C
  • Boiling Point: 195°C (estimate)
  • Flash Point: 68.7°C
  • Refractive Index: 1.4766
  • PSA: 17.07

rac-(3aR,6aS)-Octahydropentalen-2-one, cis Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
R231710-25mg
rac-(3aR,6aS)-Octahydropentalen-2-one, cis
 19915-11-8
25mg
 $ 405.00 2022-06-03
TRC
R231710-50mg
rac-(3aR,6aS)-Octahydropentalen-2-one, cis
 19915-11-8
50mg
 $ 670.00 2022-06-03
TRC
R231710-100mg
rac-(3aR,6aS)-Octahydropentalen-2-one, cis
 19915-11-8
100mg
 $ 1075.00 2022-06-03
Enamine
EN300-6760303-0.05g
(3aR,6aS)-octahydropentalen-2-one, cis
 19915-11-8 95%
0.05g
 $315.0 2023-05-30
Enamine
EN300-6760303-0.1g
(3aR,6aS)-octahydropentalen-2-one, cis
 19915-11-8 95%
0.1g
 $470.0 2023-05-30
Enamine
EN300-6760303-0.25g
(3aR,6aS)-octahydropentalen-2-one, cis
 19915-11-8 95%
0.25g
 $672.0 2023-05-30
Enamine
EN300-6760303-0.5g
(3aR,6aS)-octahydropentalen-2-one, cis
 19915-11-8 95%
0.5g
 $1058.0 2023-05-30
Enamine
EN300-6760303-1.0g
(3aR,6aS)-octahydropentalen-2-one, cis
 19915-11-8 95%
1g
 $1357.0 2023-05-30
Enamine
EN300-6760303-2.5g
(3aR,6aS)-octahydropentalen-2-one, cis
 19915-11-8 95%
2.5g
 $2660.0 2023-05-30
Enamine
EN300-6760303-5.0g
(3aR,6aS)-octahydropentalen-2-one, cis
 19915-11-8 95%
5g
 $3935.0 2023-05-30

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