2-(2-hydroxyethoxy)ethanol;3-methoxyprop-1-ene

C8H18O4 — CID 22616695

IUPAC2-(2-hydroxyethoxy)ethanol;3-methoxyprop-1-ene
SMILESC=CCOC.OCCOCCO
InChIInChI=1S/C4H10O3.C4H8O/c5-1-3-7-4-2-6;1-3-4-5-2/h5-6H,1-4H2;3H,1,4H2,2H3
InChIKeyYYDMAQRLOHHAKW-UHFFFAOYSA-N
MW178.23 g/mol
LogP-0.19
Rot. Bonds6

About 2-(2-hydroxyethoxy)ethanol;3-methoxyprop-1-ene

2-(2-hydroxyethoxy)ethanol;3-methoxyprop-1-ene (PubChem CID 22616695) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;3-methoxyprop-1-ene.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;3-methoxyprop-1-ene
PubChem CID22616695
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name2-(2-hydroxyethoxy)ethanol;3-methoxyprop-1-ene
SMILESC=CCOC.OCCOCCO
InChIInChI=1S/C4H10O3.C4H8O/c5-1-3-7-4-2-6;1-3-4-5-2/h5-6H,1-4H2;3H,1,4H2,2H3
InChIKeyYYDMAQRLOHHAKW-UHFFFAOYSA-N
XLogP-0.19
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-0.19
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-hydroxyethoxy)ethanol;3-methoxyprop-1-ene?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;3-methoxyprop-1-ene (CID 22616695) is 2-(2-hydroxyethoxy)ethanol;3-methoxyprop-1-ene.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;3-methoxyprop-1-ene?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;3-methoxyprop-1-ene is C=CCOC.OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;3-methoxyprop-1-ene?
The InChIKey is YYDMAQRLOHHAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.C4H8O/c5-1-3-7-4-2-6;1-3-4-5-2/h5-6H,1-4H2;3H,1,4H2,2H3.
What are the key properties of 2-(2-hydroxyethoxy)ethanol;3-methoxyprop-1-ene?
2-(2-hydroxyethoxy)ethanol;3-methoxyprop-1-ene has a molecular weight of 178.23 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;3-methoxyprop-1-ene is sourced from PubChem (CID 22616695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).