(2R,4R,5S,6S,8S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-8-methyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol

C37H60O5Si2 — CID 134938223

About (2R,4R,5S,6S,8S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-8-methyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol

(2R,4R,5S,6S,8S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-8-methyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol (PubChem CID 134938223) has the molecular formula C37H60O5Si2 and a molecular weight of 641.05 g/mol. Its IUPAC name is (2R,4R,5S,6S,8S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-8-methyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol.

Molecular Properties

• Compound Name: (2R,4R,5S,6S,8S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-8-methyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol
• PubChem CID: 134938223
• Molecular Formula: C37H60O5Si2
• Molecular Weight: 641.05 g/mol
• Exact Mass: 640.40
• IUPAC Name: (2R,4R,5S,6S,8S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-8-methyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol
• SMILES: CC(C)[Si](O[C@@H]1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@]2(CCC[C@H](C)O2)[C@H]1O)(C(C)C)C(C)C
• InChI: InChI=1S/C37H60O5Si2/c1-27(2)43(28(3)4,29(5)6)42-34-26-31(41-37(35(34)38)24-17-18-30(7)40-37)23-25-39-44(36(8,9)10,32-19-13-11-14-20-32)33-21-15-12-16-22-33/h11-16,19-22,27-31,34-35,38H,17-18,23-26H2,1-10H3/t30-,31+,34+,35-,37-/m0/s1
• InChIKey: IVAQJYWAWQKNGT-YTMIHINMSA-N
• XLogP: 7.95
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.05
LogP ≤ 5	7.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S,6S,8S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-8-methyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol?

The IUPAC name of (2R,4R,5S,6S,8S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-8-methyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol (CID 134938223) is (2R,4R,5S,6S,8S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-8-methyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol.

What is the SMILES notation for (2R,4R,5S,6S,8S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-8-methyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol?

The canonical SMILES for (2R,4R,5S,6S,8S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-8-methyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol is CC(C)[Si](O[C@@H]1C[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@]2(CCC[C@H](C)O2)[C@H]1O)(C(C)C)C(C)C.

What is the InChIKey of (2R,4R,5S,6S,8S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-8-methyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol?

The InChIKey is IVAQJYWAWQKNGT-YTMIHINMSA-N. The full InChI is InChI=1S/C37H60O5Si2/c1-27(2)43(28(3)4,29(5)6)42-34-26-31(41-37(35(34)38)24-17-18-30(7)40-37)23-25-39-44(36(8,9)10,32-19-13-11-14-20-32)33-21-15-12-16-22-33/h11-16,19-22,27-31,34-35,38H,17-18,23-26H2,1-10H3/t30-,31+,34+,35-,37-/m0/s1.

What are the key properties of (2R,4R,5S,6S,8S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-8-methyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol?

(2R,4R,5S,6S,8S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-8-methyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol has a molecular weight of 641.05 g/mol, XLogP of 7.95, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R,5S,6S,8S)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-8-methyl-4-tri(propan-2-yl)silyloxy-1,7-dioxaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 134938223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).