(2R,3R,4R,5S)-3,4,5,6-tetrakis(prop-2-enoxy)hexane-1,2-diol

C18H30O6 — CID 20746280

IUPAC(2R,3R,4R,5S)-3,4,5,6-tetrakis(prop-2-enoxy)hexane-1,2-diol
SMILESC=CCOC[C@H](OCC=C)[C@@H](OCC=C)[C@H](OCC=C)[C@H](O)CO
InChIInChI=1S/C18H30O6/c1-5-9-21-14-16(22-10-6-2)18(24-12-8-4)17(15(20)13-19)23-11-7-3/h5-8,15-20H,1-4,9-14H2/t15-,16+,17-,18-/m1/s1
InChIKeyAGKVGPNFLGDWCT-XMTFNYHQSA-N
MW342.43 g/mol
LogP1.26
Rot. Bonds17

About (2R,3R,4R,5S)-3,4,5,6-tetrakis(prop-2-enoxy)hexane-1,2-diol

(2R,3R,4R,5S)-3,4,5,6-tetrakis(prop-2-enoxy)hexane-1,2-diol (PubChem CID 20746280) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is (2R,3R,4R,5S)-3,4,5,6-tetrakis(prop-2-enoxy)hexane-1,2-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-3,4,5,6-tetrakis(prop-2-enoxy)hexane-1,2-diol
PubChem CID20746280
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Name(2R,3R,4R,5S)-3,4,5,6-tetrakis(prop-2-enoxy)hexane-1,2-diol
SMILESC=CCOC[C@H](OCC=C)[C@@H](OCC=C)[C@H](OCC=C)[C@H](O)CO
InChIInChI=1S/C18H30O6/c1-5-9-21-14-16(22-10-6-2)18(24-12-8-4)17(15(20)13-19)23-11-7-3/h5-8,15-20H,1-4,9-14H2/t15-,16+,17-,18-/m1/s1
InChIKeyAGKVGPNFLGDWCT-XMTFNYHQSA-N
XLogP1.26
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (2R,3R,4R,5S)-3,4,5,6-tetrakis(prop-2-enoxy)hexane-1,2-diol?
The IUPAC name of (2R,3R,4R,5S)-3,4,5,6-tetrakis(prop-2-enoxy)hexane-1,2-diol (CID 20746280) is (2R,3R,4R,5S)-3,4,5,6-tetrakis(prop-2-enoxy)hexane-1,2-diol.
What is the SMILES notation for (2R,3R,4R,5S)-3,4,5,6-tetrakis(prop-2-enoxy)hexane-1,2-diol?
The canonical SMILES for (2R,3R,4R,5S)-3,4,5,6-tetrakis(prop-2-enoxy)hexane-1,2-diol is C=CCOC[C@H](OCC=C)[C@@H](OCC=C)[C@H](OCC=C)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R,5S)-3,4,5,6-tetrakis(prop-2-enoxy)hexane-1,2-diol?
The InChIKey is AGKVGPNFLGDWCT-XMTFNYHQSA-N. The full InChI is InChI=1S/C18H30O6/c1-5-9-21-14-16(22-10-6-2)18(24-12-8-4)17(15(20)13-19)23-11-7-3/h5-8,15-20H,1-4,9-14H2/t15-,16+,17-,18-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-3,4,5,6-tetrakis(prop-2-enoxy)hexane-1,2-diol?
(2R,3R,4R,5S)-3,4,5,6-tetrakis(prop-2-enoxy)hexane-1,2-diol has a molecular weight of 342.43 g/mol, XLogP of 1.26, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-3,4,5,6-tetrakis(prop-2-enoxy)hexane-1,2-diol is sourced from PubChem (CID 20746280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).