Text Search
Structure Search

{5-[bis(3,5-di-tert-butylphenyl)(hydroxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl}bis(3,5-di-tert-butylphenyl)methanol

{5-[bis(3,5-di-tert-butylphenyl)(hydroxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl}bis(3,5-di-tert-butylphenyl)methanol

Formula: C63H94O4

SMILES: CC(C)(C)C1=CC(=CC(=C1)C(C)(C)C)C(O)(C1OC(C)(C)OC1C(O)(C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

IUPAC: {5-[bis(3,5-di-tert-butylphenyl)(hydroxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl}bis(3,5-di-tert-butylphenyl)methanol

InChI: InChI=1/C63H94O4/c1-53(2,3)39-27-40(54(4,5)6)32-47(31-39)62(64,48-33-41(55(7,8)9)28-42(34-48)56(10,11)12)51-52(67-61(25,26)66-51)63(65,49-35-43(57(13,14)15)29-44(36-49)58(16,17)18)50-37-45(59(19,20)21)30-46(38-50)60(22,23)24/h27-38,51-52,64-65H,1-26H3

Composition: C (82.66%), H (10.35%), O (6.99%)

Molar Mass: 915.441

Atom Count: 161

Heavy Atom Count: 67

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 2
Exact Mass 914.715211507
Formal Charge 0
FSP3 0.62
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey AOLVSPGAOMCONB-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 285.98
Topological Polar Surface Area 58.92
Polarizability 112.32
Ring Count 5
Rotatable Bond Count 14

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C63H94O4 Quote Only