(2S)-3-prop-2-enoxypropane-1,2-diol

C6H12O3 — CID 6994266

IUPAC(2S)-3-prop-2-enoxypropane-1,2-diol
SMILESC=CCOC[C@@H](O)CO
InChIInChI=1S/C6H12O3/c1-2-3-9-5-6(8)4-7/h2,6-8H,1,3-5H2/t6-/m0/s1
InChIKeyPAKCOSURAUIXFG-LURJTMIESA-N
MW132.16 g/mol
LogP-0.46
Rot. Bonds5

About (2S)-3-prop-2-enoxypropane-1,2-diol

(2S)-3-prop-2-enoxypropane-1,2-diol (PubChem CID 6994266) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (2S)-3-prop-2-enoxypropane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-prop-2-enoxypropane-1,2-diol
PubChem CID6994266
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(2S)-3-prop-2-enoxypropane-1,2-diol
SMILESC=CCOC[C@@H](O)CO
InChIInChI=1S/C6H12O3/c1-2-3-9-5-6(8)4-7/h2,6-8H,1,3-5H2/t6-/m0/s1
InChIKeyPAKCOSURAUIXFG-LURJTMIESA-N
XLogP-0.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
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 (2S)-3-prop-2-enoxypropane-1,2-diol?
The IUPAC name of (2S)-3-prop-2-enoxypropane-1,2-diol (CID 6994266) is (2S)-3-prop-2-enoxypropane-1,2-diol.
What is the SMILES notation for (2S)-3-prop-2-enoxypropane-1,2-diol?
The canonical SMILES for (2S)-3-prop-2-enoxypropane-1,2-diol is C=CCOC[C@@H](O)CO.
What is the InChIKey of (2S)-3-prop-2-enoxypropane-1,2-diol?
The InChIKey is PAKCOSURAUIXFG-LURJTMIESA-N. The full InChI is InChI=1S/C6H12O3/c1-2-3-9-5-6(8)4-7/h2,6-8H,1,3-5H2/t6-/m0/s1.
What are the key properties of (2S)-3-prop-2-enoxypropane-1,2-diol?
(2S)-3-prop-2-enoxypropane-1,2-diol has a molecular weight of 132.16 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-prop-2-enoxypropane-1,2-diol is sourced from PubChem (CID 6994266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).