3-hydroxypropanoic acid;prop-1-ene

C6H12O3 — CID 141190876

IUPAC3-hydroxypropanoic acid;prop-1-ene
SMILESC=CC.O=C(O)CCO
InChIInChI=1S/C3H6O3.C3H6/c4-2-1-3(5)6;1-3-2/h4H,1-2H2,(H,5,6);3H,1H2,2H3
InChIKeyRMXWUXQRRHUGQP-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.65
Rot. Bonds2

About 3-hydroxypropanoic acid;prop-1-ene

3-hydroxypropanoic acid;prop-1-ene (PubChem CID 141190876) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3-hydroxypropanoic acid;prop-1-ene.

Molecular Properties

Compound Name3-hydroxypropanoic acid;prop-1-ene
PubChem CID141190876
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name3-hydroxypropanoic acid;prop-1-ene
SMILESC=CC.O=C(O)CCO
InChIInChI=1S/C3H6O3.C3H6/c4-2-1-3(5)6;1-3-2/h4H,1-2H2,(H,5,6);3H,1H2,2H3
InChIKeyRMXWUXQRRHUGQP-UHFFFAOYSA-N
XLogP0.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.65
H-Bond Donors ≤ 52
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 3-hydroxypropanoic acid;prop-1-ene?
The IUPAC name of 3-hydroxypropanoic acid;prop-1-ene (CID 141190876) is 3-hydroxypropanoic acid;prop-1-ene.
What is the SMILES notation for 3-hydroxypropanoic acid;prop-1-ene?
The canonical SMILES for 3-hydroxypropanoic acid;prop-1-ene is C=CC.O=C(O)CCO.
What is the InChIKey of 3-hydroxypropanoic acid;prop-1-ene?
The InChIKey is RMXWUXQRRHUGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.C3H6/c4-2-1-3(5)6;1-3-2/h4H,1-2H2,(H,5,6);3H,1H2,2H3.
What are the key properties of 3-hydroxypropanoic acid;prop-1-ene?
3-hydroxypropanoic acid;prop-1-ene has a molecular weight of 132.16 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropanoic acid;prop-1-ene is sourced from PubChem (CID 141190876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).