[5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methanol

C22H36O2Si2 — CID 11728829

About [5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methanol

[5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methanol (PubChem CID 11728829) has the molecular formula C22H36O2Si2 and a molecular weight of 388.70 g/mol. Its IUPAC name is [5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methanol.

Molecular Properties

• Compound Name: [5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methanol
• PubChem CID: 11728829
• Molecular Formula: C22H36O2Si2
• Molecular Weight: 388.70 g/mol
• Exact Mass: 388.23
• IUPAC Name: [5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methanol
• SMILES: CC(C)(C)[Si](C)(C)OC1(C#C/C=C\C#C[Si](C)(C)C)CCC=C(CO)C1
• InChI: InChI=1S/C22H36O2Si2/c1-21(2,3)26(7,8)24-22(16-13-14-20(18-22)19-23)15-11-9-10-12-17-25(4,5)6/h9-10,14,23H,13,16,18-19H2,1-8H3/b10-9-
• InChIKey: ROFDSNJSSMXUJG-KTKRTIGZSA-N
• XLogP: 5.29
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.70
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'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 [5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methanol?

The IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methanol (CID 11728829) is [5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methanol.

What is the SMILES notation for [5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methanol?

The canonical SMILES for [5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methanol is CC(C)(C)[Si](C)(C)OC1(C#C/C=C\C#C[Si](C)(C)C)CCC=C(CO)C1.

What is the InChIKey of [5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methanol?

The InChIKey is ROFDSNJSSMXUJG-KTKRTIGZSA-N. The full InChI is InChI=1S/C22H36O2Si2/c1-21(2,3)26(7,8)24-22(16-13-14-20(18-22)19-23)15-11-9-10-12-17-25(4,5)6/h9-10,14,23H,13,16,18-19H2,1-8H3/b10-9-.

What are the key properties of [5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methanol?

[5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methanol has a molecular weight of 388.70 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[tert-butyl(dimethyl)silyl]oxy-5-[(Z)-6-trimethylsilylhex-3-en-1,5-diynyl]cyclohexen-1-yl]methanol is sourced from PubChem (CID 11728829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).