[6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-4-trimethylsilylbenzo[d][1,3,2]benzodioxaphosphepin-8-yl]-trimethylsilane

C30H43O8PSi2 — CID 11974990

About [6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-4-trimethylsilylbenzo[d][1,3,2]benzodioxaphosphepin-8-yl]-trimethylsilane

[6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-4-trimethylsilylbenzo[d][1,3,2]benzodioxaphosphepin-8-yl]-trimethylsilane (PubChem CID 11974990) has the molecular formula C30H43O8PSi2 and a molecular weight of 618.81 g/mol. Its IUPAC name is [6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-4-trimethylsilylbenzo[d][1,3,2]benzodioxaphosphepin-8-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-4-trimethylsilylbenzo[d][1,3,2]benzodioxaphosphepin-8-yl]-trimethylsilane
• PubChem CID: 11974990
• Molecular Formula: C30H43O8PSi2
• Molecular Weight: 618.81 g/mol
• Exact Mass: 618.22
• IUPAC Name: [6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-4-trimethylsilylbenzo[d][1,3,2]benzodioxaphosphepin-8-yl]-trimethylsilane
• SMILES: CC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@H](Op3oc4c([Si](C)(C)C)cccc4c4cccc([Si](C)(C)C)c4o3)[C@H]2O1
• InChI: InChI=1S/C30H43O8PSi2/c1-29(2)31-17-20(33-29)25-26(27-28(32-25)35-30(3,4)34-27)38-39-36-23-18(13-11-15-21(23)40(5,6)7)19-14-12-16-22(24(19)37-39)41(8,9)10/h11-16,20,25-28H,17H2,1-10H3/t20-,25-,26+,27-,28-/m1/s1
• InChIKey: KCSOUUYAWFMSQU-HZRCXWLISA-N
• XLogP: 6.21
• TPSA: 81.66 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.81
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-4-trimethylsilylbenzo[d][1,3,2]benzodioxaphosphepin-8-yl]-trimethylsilane?

The IUPAC name of [6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-4-trimethylsilylbenzo[d][1,3,2]benzodioxaphosphepin-8-yl]-trimethylsilane (CID 11974990) is [6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-4-trimethylsilylbenzo[d][1,3,2]benzodioxaphosphepin-8-yl]-trimethylsilane.

What is the SMILES notation for [6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-4-trimethylsilylbenzo[d][1,3,2]benzodioxaphosphepin-8-yl]-trimethylsilane?

The canonical SMILES for [6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-4-trimethylsilylbenzo[d][1,3,2]benzodioxaphosphepin-8-yl]-trimethylsilane is CC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@H](Op3oc4c([Si](C)(C)C)cccc4c4cccc([Si](C)(C)C)c4o3)[C@H]2O1.

What is the InChIKey of [6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-4-trimethylsilylbenzo[d][1,3,2]benzodioxaphosphepin-8-yl]-trimethylsilane?

The InChIKey is KCSOUUYAWFMSQU-HZRCXWLISA-N. The full InChI is InChI=1S/C30H43O8PSi2/c1-29(2)31-17-20(33-29)25-26(27-28(32-25)35-30(3,4)34-27)38-39-36-23-18(13-11-15-21(23)40(5,6)7)19-14-12-16-22(24(19)37-39)41(8,9)10/h11-16,20,25-28H,17H2,1-10H3/t20-,25-,26+,27-,28-/m1/s1.

What are the key properties of [6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-4-trimethylsilylbenzo[d][1,3,2]benzodioxaphosphepin-8-yl]-trimethylsilane?

[6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-4-trimethylsilylbenzo[d][1,3,2]benzodioxaphosphepin-8-yl]-trimethylsilane has a molecular weight of 618.81 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-4-trimethylsilylbenzo[d][1,3,2]benzodioxaphosphepin-8-yl]-trimethylsilane is sourced from PubChem (CID 11974990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).