trimethyl-[2-[(1R,6R)-4-methyl-6-[2-tri(propan-2-yl)silyloxyethynyl]cyclohex-3-en-1-yl]propan-2-yloxy]silane

C24H46O2Si2 — CID 14060264

About trimethyl-[2-[(1R,6R)-4-methyl-6-[2-tri(propan-2-yl)silyloxyethynyl]cyclohex-3-en-1-yl]propan-2-yloxy]silane

trimethyl-[2-[(1R,6R)-4-methyl-6-[2-tri(propan-2-yl)silyloxyethynyl]cyclohex-3-en-1-yl]propan-2-yloxy]silane (PubChem CID 14060264) has the molecular formula C24H46O2Si2 and a molecular weight of 422.80 g/mol. Its IUPAC name is trimethyl-[2-[(1R,6R)-4-methyl-6-[2-tri(propan-2-yl)silyloxyethynyl]cyclohex-3-en-1-yl]propan-2-yloxy]silane.

Molecular Properties

• Compound Name: trimethyl-[2-[(1R,6R)-4-methyl-6-[2-tri(propan-2-yl)silyloxyethynyl]cyclohex-3-en-1-yl]propan-2-yloxy]silane
• PubChem CID: 14060264
• Molecular Formula: C24H46O2Si2
• Molecular Weight: 422.80 g/mol
• Exact Mass: 422.30
• IUPAC Name: trimethyl-[2-[(1R,6R)-4-methyl-6-[2-tri(propan-2-yl)silyloxyethynyl]cyclohex-3-en-1-yl]propan-2-yloxy]silane
• SMILES: CC1=CC[C@@H](C(C)(C)O[Si](C)(C)C)[C@H](C#CO[Si](C(C)C)(C(C)C)C(C)C)C1
• InChI: InChI=1S/C24H46O2Si2/c1-18(2)28(19(3)4,20(5)6)25-16-15-22-17-21(7)13-14-23(22)24(8,9)26-27(10,11)12/h13,18-20,22-23H,14,17H2,1-12H3/t22-,23-/m1/s1
• InChIKey: VCRCODMEQDKDPD-DHIUTWEWSA-N
• XLogP: 7.74
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.80
LogP ≤ 5	7.74
H-Bond Donors ≤ 5	0
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 trimethyl-[2-[(1R,6R)-4-methyl-6-[2-tri(propan-2-yl)silyloxyethynyl]cyclohex-3-en-1-yl]propan-2-yloxy]silane?

The IUPAC name of trimethyl-[2-[(1R,6R)-4-methyl-6-[2-tri(propan-2-yl)silyloxyethynyl]cyclohex-3-en-1-yl]propan-2-yloxy]silane (CID 14060264) is trimethyl-[2-[(1R,6R)-4-methyl-6-[2-tri(propan-2-yl)silyloxyethynyl]cyclohex-3-en-1-yl]propan-2-yloxy]silane.

What is the SMILES notation for trimethyl-[2-[(1R,6R)-4-methyl-6-[2-tri(propan-2-yl)silyloxyethynyl]cyclohex-3-en-1-yl]propan-2-yloxy]silane?

The canonical SMILES for trimethyl-[2-[(1R,6R)-4-methyl-6-[2-tri(propan-2-yl)silyloxyethynyl]cyclohex-3-en-1-yl]propan-2-yloxy]silane is CC1=CC[C@@H](C(C)(C)O[Si](C)(C)C)[C@H](C#CO[Si](C(C)C)(C(C)C)C(C)C)C1.

What is the InChIKey of trimethyl-[2-[(1R,6R)-4-methyl-6-[2-tri(propan-2-yl)silyloxyethynyl]cyclohex-3-en-1-yl]propan-2-yloxy]silane?

The InChIKey is VCRCODMEQDKDPD-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H46O2Si2/c1-18(2)28(19(3)4,20(5)6)25-16-15-22-17-21(7)13-14-23(22)24(8,9)26-27(10,11)12/h13,18-20,22-23H,14,17H2,1-12H3/t22-,23-/m1/s1.

What are the key properties of trimethyl-[2-[(1R,6R)-4-methyl-6-[2-tri(propan-2-yl)silyloxyethynyl]cyclohex-3-en-1-yl]propan-2-yloxy]silane?

trimethyl-[2-[(1R,6R)-4-methyl-6-[2-tri(propan-2-yl)silyloxyethynyl]cyclohex-3-en-1-yl]propan-2-yloxy]silane has a molecular weight of 422.80 g/mol, XLogP of 7.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[(1R,6R)-4-methyl-6-[2-tri(propan-2-yl)silyloxyethynyl]cyclohex-3-en-1-yl]propan-2-yloxy]silane is sourced from PubChem (CID 14060264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).