2-[2-[2-[(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)oxy]ethoxy]ethoxy]ethanol

C16H30O4 — CID 175803102

About 2-[2-[2-[(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)oxy]ethoxy]ethoxy]ethanol

2-[2-[2-[(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)oxy]ethoxy]ethoxy]ethanol (PubChem CID 175803102) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is 2-[2-[2-[(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)oxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)oxy]ethoxy]ethoxy]ethanol
• PubChem CID: 175803102
• Molecular Formula: C16H30O4
• Molecular Weight: 286.41 g/mol
• Exact Mass: 286.21
• IUPAC Name: 2-[2-[2-[(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)oxy]ethoxy]ethoxy]ethanol
• SMILES: CC1CCC2CC1(OCCOCCOCCO)C2(C)C
• InChI: InChI=1S/C16H30O4/c1-13-4-5-14-12-16(13,15(14,2)3)20-11-10-19-9-8-18-7-6-17/h13-14,17H,4-12H2,1-3H3
• InChIKey: YVEYGGLAFOQGNC-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.41
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)oxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)oxy]ethoxy]ethoxy]ethanol (CID 175803102) is 2-[2-[2-[(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)oxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)oxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)oxy]ethoxy]ethoxy]ethanol is CC1CCC2CC1(OCCOCCOCCO)C2(C)C.

What is the InChIKey of 2-[2-[2-[(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)oxy]ethoxy]ethoxy]ethanol?

The InChIKey is YVEYGGLAFOQGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-13-4-5-14-12-16(13,15(14,2)3)20-11-10-19-9-8-18-7-6-17/h13-14,17H,4-12H2,1-3H3.

What are the key properties of 2-[2-[2-[(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)oxy]ethoxy]ethoxy]ethanol?

2-[2-[2-[(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)oxy]ethoxy]ethoxy]ethanol has a molecular weight of 286.41 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[(2,6,6-trimethyl-1-bicyclo[3.1.1]heptanyl)oxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 175803102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).