prop-2-enoxymethanol

C4H8O2 — CID 19983446

IUPACprop-2-enoxymethanol
SMILESC=CCOCO
InChIInChI=1S/C4H8O2/c1-2-3-6-4-5/h2,5H,1,3-4H2
InChIKeyILKVDTFYHCTVMA-UHFFFAOYSA-N
MW88.11 g/mol
LogP0.14
Rot. Bonds3

About prop-2-enoxymethanol

prop-2-enoxymethanol (PubChem CID 19983446) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is prop-2-enoxymethanol.

Molecular Properties

Compound Nameprop-2-enoxymethanol
PubChem CID19983446
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Nameprop-2-enoxymethanol
SMILESC=CCOCO
InChIInChI=1S/C4H8O2/c1-2-3-6-4-5/h2,5H,1,3-4H2
InChIKeyILKVDTFYHCTVMA-UHFFFAOYSA-N
XLogP0.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 prop-2-enoxymethanol?
The IUPAC name of prop-2-enoxymethanol (CID 19983446) is prop-2-enoxymethanol.
What is the SMILES notation for prop-2-enoxymethanol?
The canonical SMILES for prop-2-enoxymethanol is C=CCOCO.
What is the InChIKey of prop-2-enoxymethanol?
The InChIKey is ILKVDTFYHCTVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2/c1-2-3-6-4-5/h2,5H,1,3-4H2.
What are the key properties of prop-2-enoxymethanol?
prop-2-enoxymethanol has a molecular weight of 88.11 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoxymethanol is sourced from PubChem (CID 19983446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).