(2S,4S)-2,3,4-tris(prop-2-enoxy)pentane-1,5-diol

C14H24O5 — CID 89147568

IUPAC(2S,4S)-2,3,4-tris(prop-2-enoxy)pentane-1,5-diol
SMILESC=CCOC([C@H](CO)OCC=C)[C@H](CO)OCC=C
InChIInChI=1S/C14H24O5/c1-4-7-17-12(10-15)14(19-9-6-3)13(11-16)18-8-5-2/h4-6,12-16H,1-3,7-11H2/t12-,13-/m0/s1
InChIKeyCVPHGOZHGAXIDL-STQMWFEESA-N
MW272.34 g/mol
LogP0.68
Rot. Bonds13

About (2S,4S)-2,3,4-tris(prop-2-enoxy)pentane-1,5-diol

(2S,4S)-2,3,4-tris(prop-2-enoxy)pentane-1,5-diol (PubChem CID 89147568) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is (2S,4S)-2,3,4-tris(prop-2-enoxy)pentane-1,5-diol.

Molecular Properties

Compound Name(2S,4S)-2,3,4-tris(prop-2-enoxy)pentane-1,5-diol
PubChem CID89147568
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name(2S,4S)-2,3,4-tris(prop-2-enoxy)pentane-1,5-diol
SMILESC=CCOC([C@H](CO)OCC=C)[C@H](CO)OCC=C
InChIInChI=1S/C14H24O5/c1-4-7-17-12(10-15)14(19-9-6-3)13(11-16)18-8-5-2/h4-6,12-16H,1-3,7-11H2/t12-,13-/m0/s1
InChIKeyCVPHGOZHGAXIDL-STQMWFEESA-N
XLogP0.68
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (2S,4S)-2,3,4-tris(prop-2-enoxy)pentane-1,5-diol?
The IUPAC name of (2S,4S)-2,3,4-tris(prop-2-enoxy)pentane-1,5-diol (CID 89147568) is (2S,4S)-2,3,4-tris(prop-2-enoxy)pentane-1,5-diol.
What is the SMILES notation for (2S,4S)-2,3,4-tris(prop-2-enoxy)pentane-1,5-diol?
The canonical SMILES for (2S,4S)-2,3,4-tris(prop-2-enoxy)pentane-1,5-diol is C=CCOC([C@H](CO)OCC=C)[C@H](CO)OCC=C.
What is the InChIKey of (2S,4S)-2,3,4-tris(prop-2-enoxy)pentane-1,5-diol?
The InChIKey is CVPHGOZHGAXIDL-STQMWFEESA-N. The full InChI is InChI=1S/C14H24O5/c1-4-7-17-12(10-15)14(19-9-6-3)13(11-16)18-8-5-2/h4-6,12-16H,1-3,7-11H2/t12-,13-/m0/s1.
What are the key properties of (2S,4S)-2,3,4-tris(prop-2-enoxy)pentane-1,5-diol?
(2S,4S)-2,3,4-tris(prop-2-enoxy)pentane-1,5-diol has a molecular weight of 272.34 g/mol, XLogP of 0.68, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2,3,4-tris(prop-2-enoxy)pentane-1,5-diol is sourced from PubChem (CID 89147568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).