3-[[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]methoxy]prop-1-ynyl-trimethylsilane

C24H48O3Si3 — CID 11070687

About 3-[[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]methoxy]prop-1-ynyl-trimethylsilane

3-[[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]methoxy]prop-1-ynyl-trimethylsilane (PubChem CID 11070687) has the molecular formula C24H48O3Si3 and a molecular weight of 468.90 g/mol. Its IUPAC name is 3-[[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]methoxy]prop-1-ynyl-trimethylsilane.

Molecular Properties

• Compound Name: 3-[[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]methoxy]prop-1-ynyl-trimethylsilane
• PubChem CID: 11070687
• Molecular Formula: C24H48O3Si3
• Molecular Weight: 468.90 g/mol
• Exact Mass: 468.29
• IUPAC Name: 3-[[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]methoxy]prop-1-ynyl-trimethylsilane
• SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1COCC#C[Si](C)(C)C
• InChI: InChI=1S/C24H48O3Si3/c1-23(2,3)29(10,11)26-21-17-20(19-25-15-14-16-28(7,8)9)22(18-21)27-30(12,13)24(4,5)6/h17,21-22H,15,18-19H2,1-13H3/t21-,22-/m0/s1
• InChIKey: KYOMYNZRPCNPSN-VXKWHMMOSA-N
• XLogP: 6.99
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.90
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]methoxy]prop-1-ynyl-trimethylsilane?

The IUPAC name of 3-[[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]methoxy]prop-1-ynyl-trimethylsilane (CID 11070687) is 3-[[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]methoxy]prop-1-ynyl-trimethylsilane.

What is the SMILES notation for 3-[[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]methoxy]prop-1-ynyl-trimethylsilane?

The canonical SMILES for 3-[[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]methoxy]prop-1-ynyl-trimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C=C1COCC#C[Si](C)(C)C.

What is the InChIKey of 3-[[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]methoxy]prop-1-ynyl-trimethylsilane?

The InChIKey is KYOMYNZRPCNPSN-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H48O3Si3/c1-23(2,3)29(10,11)26-21-17-20(19-25-15-14-16-28(7,8)9)22(18-21)27-30(12,13)24(4,5)6/h17,21-22H,15,18-19H2,1-13H3/t21-,22-/m0/s1.

What are the key properties of 3-[[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]methoxy]prop-1-ynyl-trimethylsilane?

3-[[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]methoxy]prop-1-ynyl-trimethylsilane has a molecular weight of 468.90 g/mol, XLogP of 6.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopenten-1-yl]methoxy]prop-1-ynyl-trimethylsilane is sourced from PubChem (CID 11070687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).