2-(2-hydroxyethoxy)ethanol;[4-(hydroxymethyl)cyclohexyl]methanol

C12H26O5 — CID 18175783

About 2-(2-hydroxyethoxy)ethanol;[4-(hydroxymethyl)cyclohexyl]methanol

2-(2-hydroxyethoxy)ethanol;[4-(hydroxymethyl)cyclohexyl]methanol (PubChem CID 18175783) has the molecular formula C12H26O5 and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;[4-(hydroxymethyl)cyclohexyl]methanol.

Molecular Properties

• Compound Name: 2-(2-hydroxyethoxy)ethanol;[4-(hydroxymethyl)cyclohexyl]methanol
• PubChem CID: 18175783
• Molecular Formula: C12H26O5
• Molecular Weight: 250.33 g/mol
• Exact Mass: 250.18
• IUPAC Name: 2-(2-hydroxyethoxy)ethanol;[4-(hydroxymethyl)cyclohexyl]methanol
• SMILES: OCC1CCC(CO)CC1.OCCOCCO
• InChI: InChI=1S/C8H16O2.C4H10O3/c9-5-7-1-2-8(6-10)4-3-7;5-1-3-7-4-2-6/h7-10H,1-6H2;5-6H,1-4H2
• InChIKey: NVADPLLAMNCNQW-UHFFFAOYSA-N
• XLogP: -0.23
• TPSA: 90.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	250.33
LogP ≤ 5	-0.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;[4-(hydroxymethyl)cyclohexyl]methanol?

The IUPAC name of 2-(2-hydroxyethoxy)ethanol;[4-(hydroxymethyl)cyclohexyl]methanol (CID 18175783) is 2-(2-hydroxyethoxy)ethanol;[4-(hydroxymethyl)cyclohexyl]methanol.

What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;[4-(hydroxymethyl)cyclohexyl]methanol?

The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;[4-(hydroxymethyl)cyclohexyl]methanol is OCC1CCC(CO)CC1.OCCOCCO.

What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;[4-(hydroxymethyl)cyclohexyl]methanol?

The InChIKey is NVADPLLAMNCNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C4H10O3/c9-5-7-1-2-8(6-10)4-3-7;5-1-3-7-4-2-6/h7-10H,1-6H2;5-6H,1-4H2.

What are the key properties of 2-(2-hydroxyethoxy)ethanol;[4-(hydroxymethyl)cyclohexyl]methanol?

2-(2-hydroxyethoxy)ethanol;[4-(hydroxymethyl)cyclohexyl]methanol has a molecular weight of 250.33 g/mol, XLogP of -0.23, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-hydroxyethoxy)ethanol;[4-(hydroxymethyl)cyclohexyl]methanol is sourced from PubChem (CID 18175783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).