tert-butyl-[[(1R,2S)-2-[(4S,5S,6R)-2,2-dimethyl-6-prop-1-en-2-yl-5-triethylsilyloxy-1,3-dioxan-4-yl]-1-[(2S,3R)-2,3-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]methoxy]-dimethylsilane

C46H92O7Si3 — CID 11354872

About tert-butyl-[[(1R,2S)-2-[(4S,5S,6R)-2,2-dimethyl-6-prop-1-en-2-yl-5-triethylsilyloxy-1,3-dioxan-4-yl]-1-[(2S,3R)-2,3-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]methoxy]-dimethylsilane

tert-butyl-[[(1R,2S)-2-[(4S,5S,6R)-2,2-dimethyl-6-prop-1-en-2-yl-5-triethylsilyloxy-1,3-dioxan-4-yl]-1-[(2S,3R)-2,3-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]methoxy]-dimethylsilane (PubChem CID 11354872) has the molecular formula C46H92O7Si3 and a molecular weight of 841.49 g/mol. Its IUPAC name is tert-butyl-[[(1R,2S)-2-[(4S,5S,6R)-2,2-dimethyl-6-prop-1-en-2-yl-5-triethylsilyloxy-1,3-dioxan-4-yl]-1-[(2S,3R)-2,3-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]methoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(1R,2S)-2-[(4S,5S,6R)-2,2-dimethyl-6-prop-1-en-2-yl-5-triethylsilyloxy-1,3-dioxan-4-yl]-1-[(2S,3R)-2,3-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]methoxy]-dimethylsilane
• PubChem CID: 11354872
• Molecular Formula: C46H92O7Si3
• Molecular Weight: 841.49 g/mol
• Exact Mass: 840.62
• IUPAC Name: tert-butyl-[[(1R,2S)-2-[(4S,5S,6R)-2,2-dimethyl-6-prop-1-en-2-yl-5-triethylsilyloxy-1,3-dioxan-4-yl]-1-[(2S,3R)-2,3-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]methoxy]-dimethylsilane
• SMILES: C=C(C)[C@H]1OC(C)(C)O[C@@H]([C@H]2C=C(COCOC)CC[C@@]2(CO[Si](C)(C)C(C)(C)C)C[C@H](C)[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](CC)(CC)CC
• InChI: InChI=1S/C46H92O7Si3/c1-22-55(23-2,24-3)53-43-41(33(4)5)51-45(17,18)52-42(43)40-27-39(30-48-32-47-19)25-26-46(40,31-50-54(20,21)44(14,15)16)28-37(12)38(13)29-49-56(34(6)7,35(8)9)36(10)11/h27,34-38,40-43H,4,22-26,28-32H2,1-3,5-21H3/t37-,38-,40+,41+,42-,43+,46-/m0/s1
• InChIKey: FNAMNXLRLBVOAR-NYWMSKGBSA-N
• XLogP: 13.29
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 23
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.49
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,2S)-2-[(4S,5S,6R)-2,2-dimethyl-6-prop-1-en-2-yl-5-triethylsilyloxy-1,3-dioxan-4-yl]-1-[(2S,3R)-2,3-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]methoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(1R,2S)-2-[(4S,5S,6R)-2,2-dimethyl-6-prop-1-en-2-yl-5-triethylsilyloxy-1,3-dioxan-4-yl]-1-[(2S,3R)-2,3-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]methoxy]-dimethylsilane (CID 11354872) is tert-butyl-[[(1R,2S)-2-[(4S,5S,6R)-2,2-dimethyl-6-prop-1-en-2-yl-5-triethylsilyloxy-1,3-dioxan-4-yl]-1-[(2S,3R)-2,3-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]methoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(1R,2S)-2-[(4S,5S,6R)-2,2-dimethyl-6-prop-1-en-2-yl-5-triethylsilyloxy-1,3-dioxan-4-yl]-1-[(2S,3R)-2,3-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]methoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(1R,2S)-2-[(4S,5S,6R)-2,2-dimethyl-6-prop-1-en-2-yl-5-triethylsilyloxy-1,3-dioxan-4-yl]-1-[(2S,3R)-2,3-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]methoxy]-dimethylsilane is C=C(C)[C@H]1OC(C)(C)O[C@@H]([C@H]2C=C(COCOC)CC[C@@]2(CO[Si](C)(C)C(C)(C)C)C[C@H](C)[C@@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](CC)(CC)CC.

What is the InChIKey of tert-butyl-[[(1R,2S)-2-[(4S,5S,6R)-2,2-dimethyl-6-prop-1-en-2-yl-5-triethylsilyloxy-1,3-dioxan-4-yl]-1-[(2S,3R)-2,3-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]methoxy]-dimethylsilane?

The InChIKey is FNAMNXLRLBVOAR-NYWMSKGBSA-N. The full InChI is InChI=1S/C46H92O7Si3/c1-22-55(23-2,24-3)53-43-41(33(4)5)51-45(17,18)52-42(43)40-27-39(30-48-32-47-19)25-26-46(40,31-50-54(20,21)44(14,15)16)28-37(12)38(13)29-49-56(34(6)7,35(8)9)36(10)11/h27,34-38,40-43H,4,22-26,28-32H2,1-3,5-21H3/t37-,38-,40+,41+,42-,43+,46-/m0/s1.

What are the key properties of tert-butyl-[[(1R,2S)-2-[(4S,5S,6R)-2,2-dimethyl-6-prop-1-en-2-yl-5-triethylsilyloxy-1,3-dioxan-4-yl]-1-[(2S,3R)-2,3-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]methoxy]-dimethylsilane?

tert-butyl-[[(1R,2S)-2-[(4S,5S,6R)-2,2-dimethyl-6-prop-1-en-2-yl-5-triethylsilyloxy-1,3-dioxan-4-yl]-1-[(2S,3R)-2,3-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]methoxy]-dimethylsilane has a molecular weight of 841.49 g/mol, XLogP of 13.29, 23 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(1R,2S)-2-[(4S,5S,6R)-2,2-dimethyl-6-prop-1-en-2-yl-5-triethylsilyloxy-1,3-dioxan-4-yl]-1-[(2S,3R)-2,3-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 11354872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).