2-[1-(2-hydroxyethoxy)-2-methylprop-1-enoxy]ethanol

C8H16O4 — CID 87234189

IUPAC2-[1-(2-hydroxyethoxy)-2-methylprop-1-enoxy]ethanol
SMILESCC(C)=C(OCCO)OCCO
InChIInChI=1S/C8H16O4/c1-7(2)8(11-5-3-9)12-6-4-10/h9-10H,3-6H2,1-2H3
InChIKeyQCGANISODOEQIS-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.26
Rot. Bonds6

About 2-[1-(2-hydroxyethoxy)-2-methylprop-1-enoxy]ethanol

2-[1-(2-hydroxyethoxy)-2-methylprop-1-enoxy]ethanol (PubChem CID 87234189) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethoxy)-2-methylprop-1-enoxy]ethanol.

Molecular Properties

Compound Name2-[1-(2-hydroxyethoxy)-2-methylprop-1-enoxy]ethanol
PubChem CID87234189
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-[1-(2-hydroxyethoxy)-2-methylprop-1-enoxy]ethanol
SMILESCC(C)=C(OCCO)OCCO
InChIInChI=1S/C8H16O4/c1-7(2)8(11-5-3-9)12-6-4-10/h9-10H,3-6H2,1-2H3
InChIKeyQCGANISODOEQIS-UHFFFAOYSA-N
XLogP0.26
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[1,1-Bis(2-hydroxypropoxy)prop-1-en-2-yloxy]propan-2-ol
CID 54270104
2-(1,2-Diethoxyprop-1-enoxy)ethanol
CID 87248404
2-[2-[2-(1,2-Diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol
CID 87248467
2-[1,1-Bis(2-hydroxyethoxy)prop-1-en-2-yloxy]ethanol
CID 88025654
1-(2-Hydroxy-2-methylpropoxy)-2-methylprop-1-en-1-ol
CID 173444038

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethoxy)-2-methylprop-1-enoxy]ethanol?
The IUPAC name of 2-[1-(2-hydroxyethoxy)-2-methylprop-1-enoxy]ethanol (CID 87234189) is 2-[1-(2-hydroxyethoxy)-2-methylprop-1-enoxy]ethanol.
What is the SMILES notation for 2-[1-(2-hydroxyethoxy)-2-methylprop-1-enoxy]ethanol?
The canonical SMILES for 2-[1-(2-hydroxyethoxy)-2-methylprop-1-enoxy]ethanol is CC(C)=C(OCCO)OCCO.
What is the InChIKey of 2-[1-(2-hydroxyethoxy)-2-methylprop-1-enoxy]ethanol?
The InChIKey is QCGANISODOEQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-7(2)8(11-5-3-9)12-6-4-10/h9-10H,3-6H2,1-2H3.
What are the key properties of 2-[1-(2-hydroxyethoxy)-2-methylprop-1-enoxy]ethanol?
2-[1-(2-hydroxyethoxy)-2-methylprop-1-enoxy]ethanol has a molecular weight of 176.21 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethoxy)-2-methylprop-1-enoxy]ethanol is sourced from PubChem (CID 87234189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).