tert-butyl-[(2S)-2-[(4S,5R,6S)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-diphenylsilane

C34H50O5Si — CID 139089511

About tert-butyl-[(2S)-2-[(4S,5R,6S)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-diphenylsilane

tert-butyl-[(2S)-2-[(4S,5R,6S)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-diphenylsilane (PubChem CID 139089511) has the molecular formula C34H50O5Si and a molecular weight of 566.86 g/mol. Its IUPAC name is tert-butyl-[(2S)-2-[(4S,5R,6S)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2S)-2-[(4S,5R,6S)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-diphenylsilane
• PubChem CID: 139089511
• Molecular Formula: C34H50O5Si
• Molecular Weight: 566.86 g/mol
• Exact Mass: 566.34
• IUPAC Name: tert-butyl-[(2S)-2-[(4S,5R,6S)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-diphenylsilane
• SMILES: C[C@@H]1[C@H]([C@@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O[C@@H]1[C@@H]1COC2(CCCCC2)O1
• InChI: InChI=1S/C34H50O5Si/c1-25(23-36-40(32(3,4)5,27-17-11-8-12-18-27)28-19-13-9-14-20-28)30-26(2)31(39-33(6,7)38-30)29-24-35-34(37-29)21-15-10-16-22-34/h8-9,11-14,17-20,25-26,29-31H,10,15-16,21-24H2,1-7H3/t25-,26+,29-,30-,31-/m0/s1
• InChIKey: HZPOCJYEABGOOM-ZVHCFVJJSA-N
• XLogP: 6.43
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.86
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	0
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 tert-butyl-[(2S)-2-[(4S,5R,6S)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-diphenylsilane?

The IUPAC name of tert-butyl-[(2S)-2-[(4S,5R,6S)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-diphenylsilane (CID 139089511) is tert-butyl-[(2S)-2-[(4S,5R,6S)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-diphenylsilane.

What is the SMILES notation for tert-butyl-[(2S)-2-[(4S,5R,6S)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-diphenylsilane?

The canonical SMILES for tert-butyl-[(2S)-2-[(4S,5R,6S)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-diphenylsilane is C[C@@H]1[C@H]([C@@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(C)(C)O[C@@H]1[C@@H]1COC2(CCCCC2)O1.

What is the InChIKey of tert-butyl-[(2S)-2-[(4S,5R,6S)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-diphenylsilane?

The InChIKey is HZPOCJYEABGOOM-ZVHCFVJJSA-N. The full InChI is InChI=1S/C34H50O5Si/c1-25(23-36-40(32(3,4)5,27-17-11-8-12-18-27)28-19-13-9-14-20-28)30-26(2)31(39-33(6,7)38-30)29-24-35-34(37-29)21-15-10-16-22-34/h8-9,11-14,17-20,25-26,29-31H,10,15-16,21-24H2,1-7H3/t25-,26+,29-,30-,31-/m0/s1.

What are the key properties of tert-butyl-[(2S)-2-[(4S,5R,6S)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-diphenylsilane?

tert-butyl-[(2S)-2-[(4S,5R,6S)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-diphenylsilane has a molecular weight of 566.86 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2S)-2-[(4S,5R,6S)-6-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-diphenylsilane is sourced from PubChem (CID 139089511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).