tert-butyl-[[(2R,3S,6R,8R,9S)-3,9-dimethyl-8-[2-tri(propan-2-yl)silyloxyethyl]-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane

C29H60O4Si2 — CID 135054611

About tert-butyl-[[(2R,3S,6R,8R,9S)-3,9-dimethyl-8-[2-tri(propan-2-yl)silyloxyethyl]-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2R,3S,6R,8R,9S)-3,9-dimethyl-8-[2-tri(propan-2-yl)silyloxyethyl]-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane (PubChem CID 135054611) has the molecular formula C29H60O4Si2 and a molecular weight of 528.97 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S,6R,8R,9S)-3,9-dimethyl-8-[2-tri(propan-2-yl)silyloxyethyl]-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(2R,3S,6R,8R,9S)-3,9-dimethyl-8-[2-tri(propan-2-yl)silyloxyethyl]-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane
• PubChem CID: 135054611
• Molecular Formula: C29H60O4Si2
• Molecular Weight: 528.97 g/mol
• Exact Mass: 528.40
• IUPAC Name: tert-butyl-[[(2R,3S,6R,8R,9S)-3,9-dimethyl-8-[2-tri(propan-2-yl)silyloxyethyl]-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane
• SMILES: CC(C)[Si](OCC[C@H]1O[C@]2(CC[C@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)O2)CC[C@@H]1C)(C(C)C)C(C)C
• InChI: InChI=1S/C29H60O4Si2/c1-21(2)35(22(3)4,23(5)6)30-19-16-26-24(7)14-17-29(32-26)18-15-25(8)27(33-29)20-31-34(12,13)28(9,10)11/h21-27H,14-20H2,1-13H3/t24-,25-,26+,27-,29+/m0/s1
• InChIKey: DITKAGPTQAGJLY-DYXRGMLLSA-N
• XLogP: 8.92
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.97
LogP ≤ 5	8.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3S,6R,8R,9S)-3,9-dimethyl-8-[2-tri(propan-2-yl)silyloxyethyl]-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(2R,3S,6R,8R,9S)-3,9-dimethyl-8-[2-tri(propan-2-yl)silyloxyethyl]-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane (CID 135054611) is tert-butyl-[[(2R,3S,6R,8R,9S)-3,9-dimethyl-8-[2-tri(propan-2-yl)silyloxyethyl]-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(2R,3S,6R,8R,9S)-3,9-dimethyl-8-[2-tri(propan-2-yl)silyloxyethyl]-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(2R,3S,6R,8R,9S)-3,9-dimethyl-8-[2-tri(propan-2-yl)silyloxyethyl]-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane is CC(C)[Si](OCC[C@H]1O[C@]2(CC[C@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)O2)CC[C@@H]1C)(C(C)C)C(C)C.

What is the InChIKey of tert-butyl-[[(2R,3S,6R,8R,9S)-3,9-dimethyl-8-[2-tri(propan-2-yl)silyloxyethyl]-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane?

The InChIKey is DITKAGPTQAGJLY-DYXRGMLLSA-N. The full InChI is InChI=1S/C29H60O4Si2/c1-21(2)35(22(3)4,23(5)6)30-19-16-26-24(7)14-17-29(32-26)18-15-25(8)27(33-29)20-31-34(12,13)28(9,10)11/h21-27H,14-20H2,1-13H3/t24-,25-,26+,27-,29+/m0/s1.

What are the key properties of tert-butyl-[[(2R,3S,6R,8R,9S)-3,9-dimethyl-8-[2-tri(propan-2-yl)silyloxyethyl]-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane?

tert-butyl-[[(2R,3S,6R,8R,9S)-3,9-dimethyl-8-[2-tri(propan-2-yl)silyloxyethyl]-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane has a molecular weight of 528.97 g/mol, XLogP of 8.92, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(2R,3S,6R,8R,9S)-3,9-dimethyl-8-[2-tri(propan-2-yl)silyloxyethyl]-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 135054611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).