Cas no 100013-07-8 (Borate(1-),1,5-cyclooctanediylhydro[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]-,lithium, (T-4)- (9CI))

Borate(1-),1,5-cyclooctanediylhydro[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]-,lithium, (T-4)- (9CI) structure
100013-07-8 structure
Product Name:Borate(1-),1,5-cyclooctanediylhydro[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]-,lithium, (T-4)- (9CI)
CAS No:100013-07-8
MF:C18H31BLi
MW:265.190745592117
CID:123890
PubChem ID:24854266
Update Time:2024-11-04

Borate(1-),1,5-cyclooctanediylhydro[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]-,lithium, (T-4)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Borate(1-),1,5-cyclooctanediylhydro[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]-,lithium, (T-4)- (9CI)
    • Borate(1-),1,5-cyclooctanediylhydro[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]-,lit...
    • S-Alpine-Hydride
    • S-Alpine-Hydride?
    • Lithium B-isopinocampheyl-9-borabicyclo[3.3.1]nonyl hydride
    • 100013-07-8
    • DTXSID50746582
    • Lithium (cyclooctane-1,5-diyl-kappa~2~C~1~,C~5~)(hydrido)[(1S,2R,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl]borate(1-)
    • S-Alpine-Hydride(R), 0.5 M in THF
    • MDL: MFCD00082427
    • Inchi: 1S/C18H31B.Li/c1-12-16-10-13(18(16,2)3)11-17(12)19-14-6-4-7-15(19)9-5-8-14;/h12-17H,4-11H2,1-3H3;/q-1;+1/t12-,13+,14?,15?,16-,17-;/m0./s1
    • InChI Key: MYYWMZXHGVQUHN-NPFSMDCVSA-N
    • SMILES: [C@H]12C[C@H](C[C@H]([B-]3C4CCCC3CCC4)[C@H]1C)C2(C)C.[Li+] |^1:5|

Computed Properties

  • Exact Mass: 265.26800
  • Monoisotopic Mass: 265.2678846g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 344
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.92?g/mL?at 25?°C(lit.)
  • Boiling Point: °Cat760mmHg
  • Flash Point: 1?°F
  • PSA: 0.00000
  • LogP: 5.66170
  • Color/Form: 0.5?M in THF
  • Optical Activity: [α]20/D +5.5°, neat
  • Solubility: Not determined

Borate(1-),1,5-cyclooctanediylhydro[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]-,lithium, (T-4)- (9CI) Security Information

Borate(1-),1,5-cyclooctanediylhydro[(1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]-,lithium, (T-4)- (9CI) Pricemore >>

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