2-methoxy-2-prop-1-enoxyethanol

C6H12O3 — CID 139817184

IUPAC2-methoxy-2-prop-1-enoxyethanol
SMILESCC=COC(CO)OC
InChIInChI=1S/C6H12O3/c1-3-4-9-6(5-7)8-2/h3-4,6-7H,5H2,1-2H3
InChIKeyQANYRZUIFHZQEB-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.50
Rot. Bonds4

About 2-methoxy-2-prop-1-enoxyethanol

2-methoxy-2-prop-1-enoxyethanol (PubChem CID 139817184) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-methoxy-2-prop-1-enoxyethanol.

Molecular Properties

Compound Name2-methoxy-2-prop-1-enoxyethanol
PubChem CID139817184
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-methoxy-2-prop-1-enoxyethanol
SMILESCC=COC(CO)OC
InChIInChI=1S/C6H12O3/c1-3-4-9-6(5-7)8-2/h3-4,6-7H,5H2,1-2H3
InChIKeyQANYRZUIFHZQEB-UHFFFAOYSA-N
XLogP0.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-prop-1-enoxyethanol?
The IUPAC name of 2-methoxy-2-prop-1-enoxyethanol (CID 139817184) is 2-methoxy-2-prop-1-enoxyethanol.
What is the SMILES notation for 2-methoxy-2-prop-1-enoxyethanol?
The canonical SMILES for 2-methoxy-2-prop-1-enoxyethanol is CC=COC(CO)OC.
What is the InChIKey of 2-methoxy-2-prop-1-enoxyethanol?
The InChIKey is QANYRZUIFHZQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-3-4-9-6(5-7)8-2/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-methoxy-2-prop-1-enoxyethanol?
2-methoxy-2-prop-1-enoxyethanol has a molecular weight of 132.16 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-prop-1-enoxyethanol is sourced from PubChem (CID 139817184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).