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

C24H38O6 — CID 22825851

IUPAC(2R,3R,4R,5S)-1,2,3,4,5,6-hexakis(prop-2-enoxy)hexane
SMILESC=CCOC[C@H](OCC=C)[C@@H](OCC=C)[C@H](OCC=C)[C@@H](COCC=C)OCC=C
InChIInChI=1S/C24H38O6/c1-7-13-25-19-21(27-15-9-3)23(29-17-11-5)24(30-18-12-6)22(28-16-10-4)20-26-14-8-2/h7-12,21-24H,1-6,13-20H2/t21-,22+,23-,24-/m1/s1
InChIKeyRZFOEAPJPZMXTQ-UEQSERJNSA-N
MW422.56 g/mol
LogP3.68
Rot. Bonds23

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

(2R,3R,4R,5S)-1,2,3,4,5,6-hexakis(prop-2-enoxy)hexane (PubChem CID 22825851) has the molecular formula C24H38O6 and a molecular weight of 422.56 g/mol. Its IUPAC name is (2R,3R,4R,5S)-1,2,3,4,5,6-hexakis(prop-2-enoxy)hexane.

Molecular Properties

Compound Name(2R,3R,4R,5S)-1,2,3,4,5,6-hexakis(prop-2-enoxy)hexane
PubChem CID22825851
Molecular FormulaC24H38O6
Molecular Weight422.56 g/mol
Exact Mass422.27
IUPAC Name(2R,3R,4R,5S)-1,2,3,4,5,6-hexakis(prop-2-enoxy)hexane
SMILESC=CCOC[C@H](OCC=C)[C@@H](OCC=C)[C@H](OCC=C)[C@@H](COCC=C)OCC=C
InChIInChI=1S/C24H38O6/c1-7-13-25-19-21(27-15-9-3)23(29-17-11-5)24(30-18-12-6)22(28-16-10-4)20-26-14-8-2/h7-12,21-24H,1-6,13-20H2/t21-,22+,23-,24-/m1/s1
InChIKeyRZFOEAPJPZMXTQ-UEQSERJNSA-N
XLogP3.68
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 53.68
H-Bond Donors ≤ 50
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)-1,2,3,4,5,6-hexakis(prop-2-enoxy)hexane?
The IUPAC name of (2R,3R,4R,5S)-1,2,3,4,5,6-hexakis(prop-2-enoxy)hexane (CID 22825851) is (2R,3R,4R,5S)-1,2,3,4,5,6-hexakis(prop-2-enoxy)hexane.
What is the SMILES notation for (2R,3R,4R,5S)-1,2,3,4,5,6-hexakis(prop-2-enoxy)hexane?
The canonical SMILES for (2R,3R,4R,5S)-1,2,3,4,5,6-hexakis(prop-2-enoxy)hexane is C=CCOC[C@H](OCC=C)[C@@H](OCC=C)[C@H](OCC=C)[C@@H](COCC=C)OCC=C.
What is the InChIKey of (2R,3R,4R,5S)-1,2,3,4,5,6-hexakis(prop-2-enoxy)hexane?
The InChIKey is RZFOEAPJPZMXTQ-UEQSERJNSA-N. The full InChI is InChI=1S/C24H38O6/c1-7-13-25-19-21(27-15-9-3)23(29-17-11-5)24(30-18-12-6)22(28-16-10-4)20-26-14-8-2/h7-12,21-24H,1-6,13-20H2/t21-,22+,23-,24-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-1,2,3,4,5,6-hexakis(prop-2-enoxy)hexane?
(2R,3R,4R,5S)-1,2,3,4,5,6-hexakis(prop-2-enoxy)hexane has a molecular weight of 422.56 g/mol, XLogP of 3.68, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-1,2,3,4,5,6-hexakis(prop-2-enoxy)hexane is sourced from PubChem (CID 22825851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).