2-methoxyethanol;prop-1-ene

C6H14O2 — CID 87058049

IUPAC2-methoxyethanol;prop-1-ene
SMILESC=CC.COCCO
InChIInChI=1S/C3H8O2.C3H6/c1-5-3-2-4;1-3-2/h4H,2-3H2,1H3;3H,1H2,2H3
InChIKeyZUIWFISJLRKAIO-UHFFFAOYSA-N
MW118.18 g/mol
LogP0.82
Rot. Bonds2

About 2-methoxyethanol;prop-1-ene

2-methoxyethanol;prop-1-ene (PubChem CID 87058049) has the molecular formula C6H14O2 and a molecular weight of 118.18 g/mol. Its IUPAC name is 2-methoxyethanol;prop-1-ene.

Molecular Properties

Compound Name2-methoxyethanol;prop-1-ene
PubChem CID87058049
Molecular FormulaC6H14O2
Molecular Weight118.18 g/mol
Exact Mass118.10
IUPAC Name2-methoxyethanol;prop-1-ene
SMILESC=CC.COCCO
InChIInChI=1S/C3H8O2.C3H6/c1-5-3-2-4;1-3-2/h4H,2-3H2,1H3;3H,1H2,2H3
InChIKeyZUIWFISJLRKAIO-UHFFFAOYSA-N
XLogP0.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethanol;prop-1-ene?
The IUPAC name of 2-methoxyethanol;prop-1-ene (CID 87058049) is 2-methoxyethanol;prop-1-ene.
What is the SMILES notation for 2-methoxyethanol;prop-1-ene?
The canonical SMILES for 2-methoxyethanol;prop-1-ene is C=CC.COCCO.
What is the InChIKey of 2-methoxyethanol;prop-1-ene?
The InChIKey is ZUIWFISJLRKAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.C3H6/c1-5-3-2-4;1-3-2/h4H,2-3H2,1H3;3H,1H2,2H3.
What are the key properties of 2-methoxyethanol;prop-1-ene?
2-methoxyethanol;prop-1-ene has a molecular weight of 118.18 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethanol;prop-1-ene is sourced from PubChem (CID 87058049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).