1-hydroxy-3-prop-2-enoxypropan-2-one

C6H10O3 — CID 88562092

IUPAC1-hydroxy-3-prop-2-enoxypropan-2-one
SMILESC=CCOCC(=O)CO
InChIInChI=1S/C6H10O3/c1-2-3-9-5-6(8)4-7/h2,7H,1,3-5H2
InChIKeyCZBPDKMJDQVSRO-UHFFFAOYSA-N
MW130.14 g/mol
LogP-0.25
Rot. Bonds5

About 1-hydroxy-3-prop-2-enoxypropan-2-one

1-hydroxy-3-prop-2-enoxypropan-2-one (PubChem CID 88562092) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 1-hydroxy-3-prop-2-enoxypropan-2-one.

Molecular Properties

Compound Name1-hydroxy-3-prop-2-enoxypropan-2-one
PubChem CID88562092
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name1-hydroxy-3-prop-2-enoxypropan-2-one
SMILESC=CCOCC(=O)CO
InChIInChI=1S/C6H10O3/c1-2-3-9-5-6(8)4-7/h2,7H,1,3-5H2
InChIKeyCZBPDKMJDQVSRO-UHFFFAOYSA-N
XLogP-0.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-hydroxy-3-prop-2-enoxypropan-2-one?
The IUPAC name of 1-hydroxy-3-prop-2-enoxypropan-2-one (CID 88562092) is 1-hydroxy-3-prop-2-enoxypropan-2-one.
What is the SMILES notation for 1-hydroxy-3-prop-2-enoxypropan-2-one?
The canonical SMILES for 1-hydroxy-3-prop-2-enoxypropan-2-one is C=CCOCC(=O)CO.
What is the InChIKey of 1-hydroxy-3-prop-2-enoxypropan-2-one?
The InChIKey is CZBPDKMJDQVSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-2-3-9-5-6(8)4-7/h2,7H,1,3-5H2.
What are the key properties of 1-hydroxy-3-prop-2-enoxypropan-2-one?
1-hydroxy-3-prop-2-enoxypropan-2-one has a molecular weight of 130.14 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-prop-2-enoxypropan-2-one is sourced from PubChem (CID 88562092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).