tert-butyl-[(1S,2R,5S)-2-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-dimethylsilane

C42H74O4Si2 — CID 10770979

About tert-butyl-[(1S,2R,5S)-2-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-dimethylsilane

tert-butyl-[(1S,2R,5S)-2-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-dimethylsilane (PubChem CID 10770979) has the molecular formula C42H74O4Si2 and a molecular weight of 699.22 g/mol. Its IUPAC name is tert-butyl-[(1S,2R,5S)-2-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(1S,2R,5S)-2-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-dimethylsilane
• PubChem CID: 10770979
• Molecular Formula: C42H74O4Si2
• Molecular Weight: 699.22 g/mol
• Exact Mass: 698.51
• IUPAC Name: tert-butyl-[(1S,2R,5S)-2-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-dimethylsilane
• SMILES: C=C(C)[C@H]1CC[C@H]([C@H]2CC/C(=C/CC/C=C3/CC[C@H]([C@H]4CC[C@@H](C(=C)C)[C@@H]4O[Si](C)(C)C(C)(C)C)OC3)CO2)[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C42H74O4Si2/c1-29(2)33-21-23-35(39(33)45-47(11,12)41(5,6)7)37-25-19-31(27-43-37)17-15-16-18-32-20-26-38(44-28-32)36-24-22-34(30(3)4)40(36)46-48(13,14)42(8,9)10/h17-18,33-40H,1,3,15-16,19-28H2,2,4-14H3/b31-17-,32-18-/t33-,34+,35-,36-,37-,38-,39+,40+/m1/s1
• InChIKey: MLOKEJRCQIKEBQ-SDQFOLHUSA-N
• XLogP: 11.96
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.22
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,2R,5S)-2-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(1S,2R,5S)-2-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-dimethylsilane (CID 10770979) is tert-butyl-[(1S,2R,5S)-2-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(1S,2R,5S)-2-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(1S,2R,5S)-2-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-dimethylsilane is C=C(C)[C@H]1CC[C@H]([C@H]2CC/C(=C/CC/C=C3/CC[C@H]([C@H]4CC[C@@H](C(=C)C)[C@@H]4O[Si](C)(C)C(C)(C)C)OC3)CO2)[C@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(1S,2R,5S)-2-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-dimethylsilane?

The InChIKey is MLOKEJRCQIKEBQ-SDQFOLHUSA-N. The full InChI is InChI=1S/C42H74O4Si2/c1-29(2)33-21-23-35(39(33)45-47(11,12)41(5,6)7)37-25-19-31(27-43-37)17-15-16-18-32-20-26-38(44-28-32)36-24-22-34(30(3)4)40(36)46-48(13,14)42(8,9)10/h17-18,33-40H,1,3,15-16,19-28H2,2,4-14H3/b31-17-,32-18-/t33-,34+,35-,36-,37-,38-,39+,40+/m1/s1.

What are the key properties of tert-butyl-[(1S,2R,5S)-2-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-dimethylsilane?

tert-butyl-[(1S,2R,5S)-2-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-dimethylsilane has a molecular weight of 699.22 g/mol, XLogP of 11.96, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(1S,2R,5S)-2-[(2R,5Z)-5-[(4Z)-4-[(6R)-6-[(1R,2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-1-en-2-ylcyclopentyl]oxan-3-ylidene]butylidene]oxan-2-yl]-5-prop-1-en-2-ylcyclopentyl]oxy-dimethylsilane is sourced from PubChem (CID 10770979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).