N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine

C₁₄H₃₅NO₄Si₄ — CID 151250646

About N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine

N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine (PubChem CID 151250646) has the molecular formula C₁₄H₃₅NO₄Si₄ and a molecular weight of 393.78 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine.

Molecular Properties

• Compound Name: N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine
• PubChem CID: 151250646
• Molecular Formula: C₁₄H₃₅NO₄Si₄
• Molecular Weight: 393.78 g/mol
• Exact Mass: 393.16
• IUPAC Name: N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine
• SMILES: C[Si]1(C)O[Si](C)(C)O[Si](C)(NCC2CCCCC2)O[Si](C)(C)O1
• InChI: InChI=1S/C14H35NO4Si4/c1-20(2)16-21(3,4)18-23(7,19-22(5,6)17-20)15-13-14-11-9-8-10-12-14/h14-15H,8-13H2,1-7H3
• InChIKey: NSGGTEWBCYRVQO-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 48.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.78
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine?

The IUPAC name of N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine (CID 151250646) is N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine.

What is the SMILES notation for N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine?

The canonical SMILES for N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine is C[Si]1(C)O[Si](C)(C)O[Si](C)(NCC2CCCCC2)O[Si](C)(C)O1.

What is the InChIKey of N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine?

The InChIKey is NSGGTEWBCYRVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H35NO4Si4/c1-20(2)16-21(3,4)18-23(7,19-22(5,6)17-20)15-13-14-11-9-8-10-12-14/h14-15H,8-13H2,1-7H3.

What are the key properties of N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine?

N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine has a molecular weight of 393.78 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine is sourced from PubChem (CID 151250646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151250646 — identifiers, structure, computed properties (public domain)

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