2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-1-ene

C9H20O4 — CID 87094767

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-1-ene
SMILESC=CC.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C3H6/c7-1-3-9-5-6-10-4-2-8;1-3-2/h7-8H,1-6H2;3H,1H2,2H3
InChIKeyNHFHIOZDNXRYFF-UHFFFAOYSA-N
MW192.25 g/mol
LogP0.20
Rot. Bonds7

About 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-1-ene

2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-1-ene (PubChem CID 87094767) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-1-ene.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-1-ene
PubChem CID87094767
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-1-ene
SMILESC=CC.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C3H6/c7-1-3-9-5-6-10-4-2-8;1-3-2/h7-8H,1-6H2;3H,1H2,2H3
InChIKeyNHFHIOZDNXRYFF-UHFFFAOYSA-N
XLogP0.20
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-1-ene?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-1-ene (CID 87094767) is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-1-ene.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-1-ene?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-1-ene is C=CC.OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-1-ene?
The InChIKey is NHFHIOZDNXRYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4.C3H6/c7-1-3-9-5-6-10-4-2-8;1-3-2/h7-8H,1-6H2;3H,1H2,2H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-1-ene?
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-1-ene has a molecular weight of 192.25 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-1-ene is sourced from PubChem (CID 87094767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).