[(1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-ynoxy]-tri(propan-2-yl)silane

C28H58O2Si2 — CID 11179171

About [(1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-ynoxy]-tri(propan-2-yl)silane

[(1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-ynoxy]-tri(propan-2-yl)silane (PubChem CID 11179171) has the molecular formula C28H58O2Si2 and a molecular weight of 482.94 g/mol. Its IUPAC name is [(1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-ynoxy]-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-ynoxy]-tri(propan-2-yl)silane
• PubChem CID: 11179171
• Molecular Formula: C28H58O2Si2
• Molecular Weight: 482.94 g/mol
• Exact Mass: 482.40
• IUPAC Name: [(1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-ynoxy]-tri(propan-2-yl)silane
• SMILES: CC#C[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)CC
• InChI: InChI=1S/C28H58O2Si2/c1-17-19-24(10)27(29-31(15,16)28(12,13)14)25(11)26(23(9)18-2)30-32(20(3)4,21(5)6)22(7)8/h20-27H,18H2,1-16H3/t23-,24-,25+,26-,27+/m1/s1
• InChIKey: XGQXNXLBEAHMSM-SEFGFODJSA-N
• XLogP: 9.28
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.94
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-ynoxy]-tri(propan-2-yl)silane?

The IUPAC name of [(1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-ynoxy]-tri(propan-2-yl)silane (CID 11179171) is [(1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-ynoxy]-tri(propan-2-yl)silane.

What is the SMILES notation for [(1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-ynoxy]-tri(propan-2-yl)silane?

The canonical SMILES for [(1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-ynoxy]-tri(propan-2-yl)silane is CC#C[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)CC.

What is the InChIKey of [(1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-ynoxy]-tri(propan-2-yl)silane?

The InChIKey is XGQXNXLBEAHMSM-SEFGFODJSA-N. The full InChI is InChI=1S/C28H58O2Si2/c1-17-19-24(10)27(29-31(15,16)28(12,13)14)25(11)26(23(9)18-2)30-32(20(3)4,21(5)6)22(7)8/h20-27H,18H2,1-16H3/t23-,24-,25+,26-,27+/m1/s1.

What are the key properties of [(1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-ynoxy]-tri(propan-2-yl)silane?

[(1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-ynoxy]-tri(propan-2-yl)silane has a molecular weight of 482.94 g/mol, XLogP of 9.28, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2S,3S,4R)-1-[(2R)-butan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-ynoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 11179171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).