2-[2-(2-hydroxyethoxymethyl)prop-2-enoxy]ethanol

C8H16O4 — CID 11052182

IUPAC2-[2-(2-hydroxyethoxymethyl)prop-2-enoxy]ethanol
SMILESC=C(COCCO)COCCO
InChIInChI=1S/C8H16O4/c1-8(6-11-4-2-9)7-12-5-3-10/h9-10H,1-7H2
InChIKeyCNPDEBSFWXCXNM-UHFFFAOYSA-N
MW176.21 g/mol
LogP-0.44
Rot. Bonds8

About 2-[2-(2-hydroxyethoxymethyl)prop-2-enoxy]ethanol

2-[2-(2-hydroxyethoxymethyl)prop-2-enoxy]ethanol (PubChem CID 11052182) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxymethyl)prop-2-enoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxymethyl)prop-2-enoxy]ethanol
PubChem CID11052182
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-[2-(2-hydroxyethoxymethyl)prop-2-enoxy]ethanol
SMILESC=C(COCCO)COCCO
InChIInChI=1S/C8H16O4/c1-8(6-11-4-2-9)7-12-5-3-10/h9-10H,1-7H2
InChIKeyCNPDEBSFWXCXNM-UHFFFAOYSA-N
XLogP-0.44
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.44
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-hydroxyethoxymethyl)prop-2-enoxy]ethanol?
The IUPAC name of 2-[2-(2-hydroxyethoxymethyl)prop-2-enoxy]ethanol (CID 11052182) is 2-[2-(2-hydroxyethoxymethyl)prop-2-enoxy]ethanol.
What is the SMILES notation for 2-[2-(2-hydroxyethoxymethyl)prop-2-enoxy]ethanol?
The canonical SMILES for 2-[2-(2-hydroxyethoxymethyl)prop-2-enoxy]ethanol is C=C(COCCO)COCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxymethyl)prop-2-enoxy]ethanol?
The InChIKey is CNPDEBSFWXCXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-8(6-11-4-2-9)7-12-5-3-10/h9-10H,1-7H2.
What are the key properties of 2-[2-(2-hydroxyethoxymethyl)prop-2-enoxy]ethanol?
2-[2-(2-hydroxyethoxymethyl)prop-2-enoxy]ethanol has a molecular weight of 176.21 g/mol, XLogP of -0.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxymethyl)prop-2-enoxy]ethanol is sourced from PubChem (CID 11052182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).