trimethyl-[2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-trimethylsilyloxyphenoxy]silane

C27H46O2Si2 — CID 553932

About trimethyl-[2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-trimethylsilyloxyphenoxy]silane

trimethyl-[2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-trimethylsilyloxyphenoxy]silane (PubChem CID 553932) has the molecular formula C27H46O2Si2 and a molecular weight of 458.84 g/mol. Its IUPAC name is trimethyl-[2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-trimethylsilyloxyphenoxy]silane.

Molecular Properties

• Compound Name: trimethyl-[2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-trimethylsilyloxyphenoxy]silane
• PubChem CID: 553932
• Molecular Formula: C27H46O2Si2
• Molecular Weight: 458.84 g/mol
• Exact Mass: 458.30
• IUPAC Name: trimethyl-[2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-trimethylsilyloxyphenoxy]silane
• SMILES: C=C(C)C1CCC(C)=CC1c1c(O[Si](C)(C)C)cc(CCCCC)cc1O[Si](C)(C)C
• InChI: InChI=1S/C27H46O2Si2/c1-11-12-13-14-22-18-25(28-30(5,6)7)27(26(19-22)29-31(8,9)10)24-17-21(4)15-16-23(24)20(2)3/h17-19,23-24H,2,11-16H2,1,3-10H3
• InChIKey: FWZOFSHJDAIJQE-UHFFFAOYSA-N
• XLogP: 8.86
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.84
LogP ≤ 5	8.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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'}

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-trimethylsilyloxyphenoxy]silane?

The IUPAC name of trimethyl-[2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-trimethylsilyloxyphenoxy]silane (CID 553932) is trimethyl-[2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-trimethylsilyloxyphenoxy]silane.

What is the SMILES notation for trimethyl-[2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-trimethylsilyloxyphenoxy]silane?

The canonical SMILES for trimethyl-[2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-trimethylsilyloxyphenoxy]silane is C=C(C)C1CCC(C)=CC1c1c(O[Si](C)(C)C)cc(CCCCC)cc1O[Si](C)(C)C.

What is the InChIKey of trimethyl-[2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-trimethylsilyloxyphenoxy]silane?

The InChIKey is FWZOFSHJDAIJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46O2Si2/c1-11-12-13-14-22-18-25(28-30(5,6)7)27(26(19-22)29-31(8,9)10)24-17-21(4)15-16-23(24)20(2)3/h17-19,23-24H,2,11-16H2,1,3-10H3.

What are the key properties of trimethyl-[2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-trimethylsilyloxyphenoxy]silane?

trimethyl-[2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-trimethylsilyloxyphenoxy]silane has a molecular weight of 458.84 g/mol, XLogP of 8.86, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-trimethylsilyloxyphenoxy]silane is sourced from PubChem (CID 553932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).