tert-butyl-[(1S,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-(methoxymethoxy)-2-prop-2-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane

C24H42O4Si2 — CID 11080876

About tert-butyl-[(1S,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-(methoxymethoxy)-2-prop-2-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1S,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-(methoxymethoxy)-2-prop-2-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane (PubChem CID 11080876) has the molecular formula C24H42O4Si2 and a molecular weight of 450.77 g/mol. Its IUPAC name is tert-butyl-[(1S,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-(methoxymethoxy)-2-prop-2-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(1S,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-(methoxymethoxy)-2-prop-2-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane
• PubChem CID: 11080876
• Molecular Formula: C24H42O4Si2
• Molecular Weight: 450.77 g/mol
• Exact Mass: 450.26
• IUPAC Name: tert-butyl-[(1S,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-(methoxymethoxy)-2-prop-2-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane
• SMILES: C#CC[C@]1(OCOC)C(C#C)=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H42O4Si2/c1-14-16-24(26-18-25-9)19(15-2)17-20(27-29(10,11)22(3,4)5)21(24)28-30(12,13)23(6,7)8/h1-2,17,20-21H,16,18H2,3-13H3/t20-,21+,24+/m1/s1
• InChIKey: FLAMBTOQTMGWCB-DPLHUUCSSA-N
• XLogP: 5.72
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.77
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-(methoxymethoxy)-2-prop-2-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(1S,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-(methoxymethoxy)-2-prop-2-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane (CID 11080876) is tert-butyl-[(1S,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-(methoxymethoxy)-2-prop-2-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(1S,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-(methoxymethoxy)-2-prop-2-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(1S,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-(methoxymethoxy)-2-prop-2-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane is C#CC[C@]1(OCOC)C(C#C)=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(1S,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-(methoxymethoxy)-2-prop-2-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane?

The InChIKey is FLAMBTOQTMGWCB-DPLHUUCSSA-N. The full InChI is InChI=1S/C24H42O4Si2/c1-14-16-24(26-18-25-9)19(15-2)17-20(27-29(10,11)22(3,4)5)21(24)28-30(12,13)23(6,7)8/h1-2,17,20-21H,16,18H2,3-13H3/t20-,21+,24+/m1/s1.

What are the key properties of tert-butyl-[(1S,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-(methoxymethoxy)-2-prop-2-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane?

tert-butyl-[(1S,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-(methoxymethoxy)-2-prop-2-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane has a molecular weight of 450.77 g/mol, XLogP of 5.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(1S,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-ethynyl-2-(methoxymethoxy)-2-prop-2-ynylcyclopent-3-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 11080876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).