1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one

C30H60O6Si2 — CID 11801227

About 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one

1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one (PubChem CID 11801227) has the molecular formula C30H60O6Si2 and a molecular weight of 572.98 g/mol. Its IUPAC name is 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one.

Molecular Properties

• Compound Name: 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one
• PubChem CID: 11801227
• Molecular Formula: C30H60O6Si2
• Molecular Weight: 572.98 g/mol
• Exact Mass: 572.39
• IUPAC Name: 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one
• SMILES: CCC(=O)C[C@@H]1C[C@H](OC)C[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O2)O1
• InChI: InChI=1S/C30H60O6Si2/c1-14-24(31)15-25-16-26(32-11)18-30(34-25)19-27(36-37(12,13)29(8,9)10)17-28(35-30)20-33-38(21(2)3,22(4)5)23(6)7/h21-23,25-28H,14-20H2,1-13H3/t25-,26+,27+,28-,30-/m1/s1
• InChIKey: FTHHNLAFNSFACM-VABWOUDCSA-N
• XLogP: 8.01
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.98
LogP ≤ 5	8.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one?

The IUPAC name of 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one (CID 11801227) is 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one.

What is the SMILES notation for 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one?

The canonical SMILES for 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one is CCC(=O)C[C@@H]1C[C@H](OC)C[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O2)O1.

What is the InChIKey of 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one?

The InChIKey is FTHHNLAFNSFACM-VABWOUDCSA-N. The full InChI is InChI=1S/C30H60O6Si2/c1-14-24(31)15-25-16-26(32-11)18-30(34-25)19-27(36-37(12,13)29(8,9)10)17-28(35-30)20-33-38(21(2)3,22(4)5)23(6)7/h21-23,25-28H,14-20H2,1-13H3/t25-,26+,27+,28-,30-/m1/s1.

What are the key properties of 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one?

1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one has a molecular weight of 572.98 g/mol, XLogP of 8.01, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,4S,6R,8S,10S)-4-[tert-butyl(dimethyl)silyl]oxy-10-methoxy-2-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]butan-2-one is sourced from PubChem (CID 11801227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).