2-[2-[2-(2,6,8-trimethylnonan-4-yloxy)ethoxy]ethoxy]ethanol

C18H38O4 — CID 87268923

IUPAC2-[2-[2-(2,6,8-trimethylnonan-4-yloxy)ethoxy]ethoxy]ethanol
SMILESCC(C)CC(C)CC(CC(C)C)OCCOCCOCCO
InChIInChI=1S/C18H38O4/c1-15(2)12-17(5)14-18(13-16(3)4)22-11-10-21-9-8-20-7-6-19/h15-19H,6-14H2,1-5H3
InChIKeyPLFJWWUZKJKIPZ-UHFFFAOYSA-N
MW318.50 g/mol
LogP3.52
Rot. Bonds15

About 2-[2-[2-(2,6,8-trimethylnonan-4-yloxy)ethoxy]ethoxy]ethanol

2-[2-[2-(2,6,8-trimethylnonan-4-yloxy)ethoxy]ethoxy]ethanol (PubChem CID 87268923) has the molecular formula C18H38O4 and a molecular weight of 318.50 g/mol. Its IUPAC name is 2-[2-[2-(2,6,8-trimethylnonan-4-yloxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(2,6,8-trimethylnonan-4-yloxy)ethoxy]ethoxy]ethanol
PubChem CID87268923
Molecular FormulaC18H38O4
Molecular Weight318.50 g/mol
Exact Mass318.28
IUPAC Name2-[2-[2-(2,6,8-trimethylnonan-4-yloxy)ethoxy]ethoxy]ethanol
SMILESCC(C)CC(C)CC(CC(C)C)OCCOCCOCCO
InChIInChI=1S/C18H38O4/c1-15(2)12-17(5)14-18(13-16(3)4)22-11-10-21-9-8-20-7-6-19/h15-19H,6-14H2,1-5H3
InChIKeyPLFJWWUZKJKIPZ-UHFFFAOYSA-N
XLogP3.52
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(2,6,8-trimethylnonan-4-yloxy)ethoxy]ethoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,6,8-trimethylnonan-4-yloxy)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(2,6,8-trimethylnonan-4-yloxy)ethoxy]ethoxy]ethanol (CID 87268923) is 2-[2-[2-(2,6,8-trimethylnonan-4-yloxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(2,6,8-trimethylnonan-4-yloxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(2,6,8-trimethylnonan-4-yloxy)ethoxy]ethoxy]ethanol is CC(C)CC(C)CC(CC(C)C)OCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(2,6,8-trimethylnonan-4-yloxy)ethoxy]ethoxy]ethanol?
The InChIKey is PLFJWWUZKJKIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4/c1-15(2)12-17(5)14-18(13-16(3)4)22-11-10-21-9-8-20-7-6-19/h15-19H,6-14H2,1-5H3.
What are the key properties of 2-[2-[2-(2,6,8-trimethylnonan-4-yloxy)ethoxy]ethoxy]ethanol?
2-[2-[2-(2,6,8-trimethylnonan-4-yloxy)ethoxy]ethoxy]ethanol has a molecular weight of 318.50 g/mol, XLogP of 3.52, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,6,8-trimethylnonan-4-yloxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 87268923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).