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4,6,12,14-tetra-tert-butyl-9-hydroxy-8,10-dioxa-9??-phosphatricyclo[9.4.0.0²,?]pentadeca-1(11),2(7),3,5,12,14-hexaen-9-one

4,6,12,14-tetra-tert-butyl-9-hydroxy-8,10-dioxa-9??-phosphatricyclo[9.4.0.0²,?]pentadeca-1(11),2(7),3,5,12,14-hexaen-9-one

Formula: C28H41O4P

SMILES: CC(C)(C)C1=CC2=C(OP(O)(=O)OC3=C2C=C(C=C3C(C)(C)C)C(C)(C)C)C(=C1)C(C)(C)C

IUPAC: 4,6,12,14-tetra-tert-butyl-9-hydroxy-8,10-dioxa-9??-phosphatricyclo[9.4.0.0²,?]pentadeca-1(11),2(7),3,5,12,14-hexaen-9-one

InChI: InChI=1S/C28H41O4P/c1-25(2,3)17-13-19-20-14-18(26(4,5)6)16-22(28(10,11)12)24(20)32-33(29,30)31-23(19)21(15-17)27(7,8)9/h13-16H,1-12H3,(H,29,30)

Composition: C (71.16%), H (8.74%), O (13.54%), P (6.55%)

Molar Mass: 472.606

Atom Count: 74

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 472.274246798
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MZOUQTBTFBBHFT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 136.91
Topological Polar Surface Area 55.76
Polarizability 54.76
Ring Count 3
Rotatable Bond Count 4

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