2-(2-methylprop-2-enoxy)ethanol

C6H12O2 — CID 13459383

IUPAC2-(2-methylprop-2-enoxy)ethanol
SMILESC=C(C)COCCO
InChIInChI=1S/C6H12O2/c1-6(2)5-8-4-3-7/h7H,1,3-5H2,2H3
InChIKeyHGZYNOXVRGBQKB-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.57
Rot. Bonds4

About 2-(2-methylprop-2-enoxy)ethanol

2-(2-methylprop-2-enoxy)ethanol (PubChem CID 13459383) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)ethanol.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)ethanol
PubChem CID13459383
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-(2-methylprop-2-enoxy)ethanol
SMILESC=C(C)COCCO
InChIInChI=1S/C6H12O2/c1-6(2)5-8-4-3-7/h7H,1,3-5H2,2H3
InChIKeyHGZYNOXVRGBQKB-UHFFFAOYSA-N
XLogP0.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylprop-2-enoxy)ethanol?
The IUPAC name of 2-(2-methylprop-2-enoxy)ethanol (CID 13459383) is 2-(2-methylprop-2-enoxy)ethanol.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)ethanol?
The canonical SMILES for 2-(2-methylprop-2-enoxy)ethanol is C=C(C)COCCO.
What is the InChIKey of 2-(2-methylprop-2-enoxy)ethanol?
The InChIKey is HGZYNOXVRGBQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(2)5-8-4-3-7/h7H,1,3-5H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoxy)ethanol?
2-(2-methylprop-2-enoxy)ethanol has a molecular weight of 116.16 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)ethanol is sourced from PubChem (CID 13459383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).