[(2R)-1-[3',23'-diphenyl-6-[(2R)-2-triethylsilyloxypropoxy]spiro[1,3,5-trioxa-2,6-dibora-4-boranuidacyclohexane-4,13'-12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]-2-yl]oxypropan-2-yl]oxy-triethylsilane

C50H62B3O9Si2- — CID 102448033

About [(2R)-1-[3',23'-diphenyl-6-[(2R)-2-triethylsilyloxypropoxy]spiro[1,3,5-trioxa-2,6-dibora-4-boranuidacyclohexane-4,13'-12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]-2-yl]oxypropan-2-yl]oxy-triethylsilane

[(2R)-1-[3',23'-diphenyl-6-[(2R)-2-triethylsilyloxypropoxy]spiro[1,3,5-trioxa-2,6-dibora-4-boranuidacyclohexane-4,13'-12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]-2-yl]oxypropan-2-yl]oxy-triethylsilane (PubChem CID 102448033) has the molecular formula C50H62B3O9Si2- and a molecular weight of 895.65 g/mol. Its IUPAC name is [(2R)-1-[3',23'-diphenyl-6-[(2R)-2-triethylsilyloxypropoxy]spiro[1,3,5-trioxa-2,6-dibora-4-boranuidacyclohexane-4,13'-12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]-2-yl]oxypropan-2-yl]oxy-triethylsilane.

Molecular Properties

• Compound Name: [(2R)-1-[3',23'-diphenyl-6-[(2R)-2-triethylsilyloxypropoxy]spiro[1,3,5-trioxa-2,6-dibora-4-boranuidacyclohexane-4,13'-12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]-2-yl]oxypropan-2-yl]oxy-triethylsilane
• PubChem CID: 102448033
• Molecular Formula: C50H62B3O9Si2-
• Molecular Weight: 895.65 g/mol
• Exact Mass: 895.42
• IUPAC Name: [(2R)-1-[3',23'-diphenyl-6-[(2R)-2-triethylsilyloxypropoxy]spiro[1,3,5-trioxa-2,6-dibora-4-boranuidacyclohexane-4,13'-12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]-2-yl]oxypropan-2-yl]oxy-triethylsilane
• SMILES: CC[Si](CC)(CC)O[C@H](C)COB1OB(OC[C@@H](C)O[Si](CC)(CC)CC)O[B-]2(O1)Oc1c(c(-c3ccccc3)cc3ccccc13)-c1c(-c3ccccc3)cc3ccccc3c1O2
• InChI: InChI=1S/C50H62B3O9Si2/c1-9-63(10-2,11-3)58-37(7)35-54-51-60-52(55-36-38(8)59-64(12-4,13-5)14-6)62-53(61-51)56-49-43-31-23-21-29-41(43)33-45(39-25-17-15-18-26-39)47(49)48-46(40-27-19-16-20-28-40)34-42-30-22-24-32-44(42)50(48)57-53/h15-34,37-38H,9-14,35-36H2,1-8H3/q-1/t37-,38-/m1/s1
• InChIKey: MEGRRQUAVSKNJZ-XPSQVAKYSA-N
• XLogP: 13.09
• TPSA: 83.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.65
LogP ≤ 5	13.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[3',23'-diphenyl-6-[(2R)-2-triethylsilyloxypropoxy]spiro[1,3,5-trioxa-2,6-dibora-4-boranuidacyclohexane-4,13'-12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]-2-yl]oxypropan-2-yl]oxy-triethylsilane?

The IUPAC name of [(2R)-1-[3',23'-diphenyl-6-[(2R)-2-triethylsilyloxypropoxy]spiro[1,3,5-trioxa-2,6-dibora-4-boranuidacyclohexane-4,13'-12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]-2-yl]oxypropan-2-yl]oxy-triethylsilane (CID 102448033) is [(2R)-1-[3',23'-diphenyl-6-[(2R)-2-triethylsilyloxypropoxy]spiro[1,3,5-trioxa-2,6-dibora-4-boranuidacyclohexane-4,13'-12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]-2-yl]oxypropan-2-yl]oxy-triethylsilane.

What is the SMILES notation for [(2R)-1-[3',23'-diphenyl-6-[(2R)-2-triethylsilyloxypropoxy]spiro[1,3,5-trioxa-2,6-dibora-4-boranuidacyclohexane-4,13'-12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]-2-yl]oxypropan-2-yl]oxy-triethylsilane?

The canonical SMILES for [(2R)-1-[3',23'-diphenyl-6-[(2R)-2-triethylsilyloxypropoxy]spiro[1,3,5-trioxa-2,6-dibora-4-boranuidacyclohexane-4,13'-12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]-2-yl]oxypropan-2-yl]oxy-triethylsilane is CC[Si](CC)(CC)O[C@H](C)COB1OB(OC[C@@H](C)O[Si](CC)(CC)CC)O[B-]2(O1)Oc1c(c(-c3ccccc3)cc3ccccc13)-c1c(-c3ccccc3)cc3ccccc3c1O2.

What is the InChIKey of [(2R)-1-[3',23'-diphenyl-6-[(2R)-2-triethylsilyloxypropoxy]spiro[1,3,5-trioxa-2,6-dibora-4-boranuidacyclohexane-4,13'-12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]-2-yl]oxypropan-2-yl]oxy-triethylsilane?

The InChIKey is MEGRRQUAVSKNJZ-XPSQVAKYSA-N. The full InChI is InChI=1S/C50H62B3O9Si2/c1-9-63(10-2,11-3)58-37(7)35-54-51-60-52(55-36-38(8)59-64(12-4,13-5)14-6)62-53(61-51)56-49-43-31-23-21-29-41(43)33-45(39-25-17-15-18-26-39)47(49)48-46(40-27-19-16-20-28-40)34-42-30-22-24-32-44(42)50(48)57-53/h15-34,37-38H,9-14,35-36H2,1-8H3/q-1/t37-,38-/m1/s1.

What are the key properties of [(2R)-1-[3',23'-diphenyl-6-[(2R)-2-triethylsilyloxypropoxy]spiro[1,3,5-trioxa-2,6-dibora-4-boranuidacyclohexane-4,13'-12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]-2-yl]oxypropan-2-yl]oxy-triethylsilane?

[(2R)-1-[3',23'-diphenyl-6-[(2R)-2-triethylsilyloxypropoxy]spiro[1,3,5-trioxa-2,6-dibora-4-boranuidacyclohexane-4,13'-12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]-2-yl]oxypropan-2-yl]oxy-triethylsilane has a molecular weight of 895.65 g/mol, XLogP of 13.09, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[3',23'-diphenyl-6-[(2R)-2-triethylsilyloxypropoxy]spiro[1,3,5-trioxa-2,6-dibora-4-boranuidacyclohexane-4,13'-12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.05,10.016,21]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]-2-yl]oxypropan-2-yl]oxy-triethylsilane is sourced from PubChem (CID 102448033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).