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(1S,2S,6R,8S)-2,9,9-trimethyl-4-(2-methylpropyl)-3,5-dioxa-4-boratricyclo[6.1.1.0²,?]decane

(1S,2S,6R,8S)-2,9,9-trimethyl-4-(2-methylpropyl)-3,5-dioxa-4-boratricyclo[6.1.1.0²,?]decane

CAS: 84110-34-9

Formula: C14H25BO2

SMILES: CC(C)CB1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1

IUPAC: (1S,2S,6R,8S)-2,9,9-trimethyl-4-(2-methylpropyl)-3,5-dioxa-4-boratricyclo[6.1.1.0²,?]decane

InChI: InChI=1S/C14H25BO2/c1-9(2)8-15-16-12-7-10-6-11(13(10,3)4)14(12,5)17-15/h9-12H,6-8H2,1-5H3/t10-,11-,12+,14-/m0/s1

Composition: C (71.20%), H (10.67%), B (4.58%), O (13.55%)

Molar Mass: 236.16

Atom Count: 42

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 236.19476
Formal Charge 0
FSP3 1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey QGWQMLAZUPRXGK-FMSGJZPZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.02
Topological Polar Surface Area 18.46
Polarizability 27.7
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
99.22% <7 Days 84110-34-9 $62.65-$316.97$62.65$68.26$146.80$316.97
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98% <7 Days 84110-34-9 $11.39-$351.90$11.39$13.46$16.56$56.93$99.36$238.05$351.90
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97% <5 Days 84110-34-9 $73.14-$137.45$73.14$137.45
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