2-methoxy-1-prop-2-enoxyethanol

C6H12O3 — CID 101074378

IUPAC2-methoxy-1-prop-2-enoxyethanol
SMILESC=CCOC(O)COC
InChIInChI=1S/C6H12O3/c1-3-4-9-6(7)5-8-2/h3,6-7H,1,4-5H2,2H3
InChIKeyKVKZKRMGDUUNSS-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.15
Rot. Bonds5

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

2-methoxy-1-prop-2-enoxyethanol (PubChem CID 101074378) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-methoxy-1-prop-2-enoxyethanol.

Molecular Properties

Compound Name2-methoxy-1-prop-2-enoxyethanol
PubChem CID101074378
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-methoxy-1-prop-2-enoxyethanol
SMILESC=CCOC(O)COC
InChIInChI=1S/C6H12O3/c1-3-4-9-6(7)5-8-2/h3,6-7H,1,4-5H2,2H3
InChIKeyKVKZKRMGDUUNSS-UHFFFAOYSA-N
XLogP0.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-prop-2-enoxyethanol?
The IUPAC name of 2-methoxy-1-prop-2-enoxyethanol (CID 101074378) is 2-methoxy-1-prop-2-enoxyethanol.
What is the SMILES notation for 2-methoxy-1-prop-2-enoxyethanol?
The canonical SMILES for 2-methoxy-1-prop-2-enoxyethanol is C=CCOC(O)COC.
What is the InChIKey of 2-methoxy-1-prop-2-enoxyethanol?
The InChIKey is KVKZKRMGDUUNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-3-4-9-6(7)5-8-2/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 2-methoxy-1-prop-2-enoxyethanol?
2-methoxy-1-prop-2-enoxyethanol has a molecular weight of 132.16 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-prop-2-enoxyethanol is sourced from PubChem (CID 101074378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).