Trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane

C₂₀H₃₈O₂Si — CID 10497259

About Trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane

Trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane (PubChem CID 10497259) has the molecular formula C₂₀H₃₈O₂Si and a molecular weight of 338.61 g/mol. Its IUPAC name is trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane.

Molecular Properties

• Compound Name: Trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane
• PubChem CID: 10497259
• Molecular Formula: C₂₀H₃₈O₂Si
• Molecular Weight: 338.61 g/mol
• Exact Mass: 338.26
• IUPAC Name: trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane
• SMILES: CC1(C)COC(C)(CC[C@@]2(C)CCCC/C2=C\[Si](C)(C)C)OC1
• InChI: InChI=1S/C20H38O2Si/c1-18(2)15-21-20(4,22-16-18)13-12-19(3)11-9-8-10-17(19)14-23(5,6)7/h14H,8-13,15-16H2,1-7H3/b17-14+/t19-/m1/s1
• InChIKey: BPSITIRYVSYNBP-DQSGYLJSSA-N
• XLogP: 5.94
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	338.61
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane?

The IUPAC name of Trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane (CID 10497259) is trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane.

What is the SMILES notation for Trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane?

The canonical SMILES for Trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane is CC1(C)COC(C)(CC[C@@]2(C)CCCC/C2=C\[Si](C)(C)C)OC1.

What is the InChIKey of Trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane?

The InChIKey is BPSITIRYVSYNBP-DQSGYLJSSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-18(2)15-21-20(4,22-16-18)13-12-19(3)11-9-8-10-17(19)14-23(5,6)7/h14H,8-13,15-16H2,1-7H3/b17-14+/t19-/m1/s1.

What are the key properties of Trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane?

Trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane has a molecular weight of 338.61 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Trimethyl-[(E)-[(2R)-2-methyl-2-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]cyclohexylidene]methyl]silane is sourced from PubChem (CID 10497259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10497259 — identifiers, structure, computed properties (public domain)

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