(2R)-3-[(E)-prop-1-enoxy]propane-1,2-diol

C6H12O3 — CID 131246750

IUPAC(2R)-3-[(E)-prop-1-enoxy]propane-1,2-diol
SMILESC/C=C/OC[C@H](O)CO
InChIInChI=1S/C6H12O3/c1-2-3-9-5-6(8)4-7/h2-3,6-8H,4-5H2,1H3/b3-2+/t6-/m1/s1
InChIKeyCRZYFVPBJDWHEX-YRFDSLTASA-N
MW132.16 g/mol
LogP-0.11
Rot. Bonds4

About (2R)-3-[(E)-prop-1-enoxy]propane-1,2-diol

(2R)-3-[(E)-prop-1-enoxy]propane-1,2-diol (PubChem CID 131246750) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (2R)-3-[(E)-prop-1-enoxy]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(E)-prop-1-enoxy]propane-1,2-diol
PubChem CID131246750
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(2R)-3-[(E)-prop-1-enoxy]propane-1,2-diol
SMILESC/C=C/OC[C@H](O)CO
InChIInChI=1S/C6H12O3/c1-2-3-9-5-6(8)4-7/h2-3,6-8H,4-5H2,1H3/b3-2+/t6-/m1/s1
InChIKeyCRZYFVPBJDWHEX-YRFDSLTASA-N
XLogP-0.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloroprop-1-enoxy)propane-1,2-diol
CID 174905272
(2S)-3-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol
CID 6437067
4,4,5,5,6,6,7,7-octafluoro-1,10-bis(prop-1-enoxy)decane-2,9-diol
CID 152654240
3-(1-hydroxybut-2-enoxy)propane-1,2-diol
CID 91071629
2,3-dihydroxypropyl hypobromite
CID 23618335
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
(2S)-3-[(Z)-11-methyldodec-1-en-3-ynoxy]propane-1,2-diol
CID 10587988
3-(3-methylpent-3-en-2-yloxy)propane-1,2-diol
CID 173222430
2,3-dihydroxypropyl formate;tetracyclo[2.1.0.01,3.02,5]pentane
CID 174638545
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
(2S)-3-[(Z)-10-methyldodec-1-en-3-ynoxy]propane-1,2-diol
CID 10849534
1,2-bis(prop-1-enoxy)butane
CID 87913408

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(E)-prop-1-enoxy]propane-1,2-diol?
The IUPAC name of (2R)-3-[(E)-prop-1-enoxy]propane-1,2-diol (CID 131246750) is (2R)-3-[(E)-prop-1-enoxy]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[(E)-prop-1-enoxy]propane-1,2-diol?
The canonical SMILES for (2R)-3-[(E)-prop-1-enoxy]propane-1,2-diol is C/C=C/OC[C@H](O)CO.
What is the InChIKey of (2R)-3-[(E)-prop-1-enoxy]propane-1,2-diol?
The InChIKey is CRZYFVPBJDWHEX-YRFDSLTASA-N. The full InChI is InChI=1S/C6H12O3/c1-2-3-9-5-6(8)4-7/h2-3,6-8H,4-5H2,1H3/b3-2+/t6-/m1/s1.
What are the key properties of (2R)-3-[(E)-prop-1-enoxy]propane-1,2-diol?
(2R)-3-[(E)-prop-1-enoxy]propane-1,2-diol has a molecular weight of 132.16 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(E)-prop-1-enoxy]propane-1,2-diol is sourced from PubChem (CID 131246750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).