(2R,3R,4R,5S)-1,2,3,4,5,6-hexapropoxyhexane

C24H50O6 — CID 87742557

IUPAC(2R,3R,4R,5S)-1,2,3,4,5,6-hexapropoxyhexane
SMILESCCCOC[C@H](OCCC)[C@@H](OCCC)[C@H](OCCC)[C@@H](COCCC)OCCC
InChIInChI=1S/C24H50O6/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/h21-24H,7-20H2,1-6H3/t21-,22+,23-,24-/m1/s1
InChIKeyOLHYYLHJPJLYNJ-UEQSERJNSA-N
MW434.66 g/mol
LogP5.02
Rot. Bonds23

About (2R,3R,4R,5S)-1,2,3,4,5,6-hexapropoxyhexane

(2R,3R,4R,5S)-1,2,3,4,5,6-hexapropoxyhexane (PubChem CID 87742557) has the molecular formula C24H50O6 and a molecular weight of 434.66 g/mol. Its IUPAC name is (2R,3R,4R,5S)-1,2,3,4,5,6-hexapropoxyhexane.

Molecular Properties

Compound Name(2R,3R,4R,5S)-1,2,3,4,5,6-hexapropoxyhexane
PubChem CID87742557
Molecular FormulaC24H50O6
Molecular Weight434.66 g/mol
Exact Mass434.36
IUPAC Name(2R,3R,4R,5S)-1,2,3,4,5,6-hexapropoxyhexane
SMILESCCCOC[C@H](OCCC)[C@@H](OCCC)[C@H](OCCC)[C@@H](COCCC)OCCC
InChIInChI=1S/C24H50O6/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/h21-24H,7-20H2,1-6H3/t21-,22+,23-,24-/m1/s1
InChIKeyOLHYYLHJPJLYNJ-UEQSERJNSA-N
XLogP5.02
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.66
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methane;1,2,3,4-tetrapropoxy-5-(2,3,4,5-tetrapropoxypentoxymethoxy)pentane
CID 158581549
octadecanoic acid;2-[2,3,4,5,6-pentakis(2-hydroxyethoxy)hexoxy]ethanol
CID 170852897
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
4-[5-butoxy-2,3,4-tris(3-cyanopropoxy)pentoxy]butanenitrile
CID 170037344
2-(1-propoxypropan-2-yloxy)ethanol
CID 59676189
CID 59269514
CID 59269514
butyl(1,2-dipropoxyethoxy)silane
CID 123351057
1,2,3,4-tetraethoxy-5-[4-(2,3,4,5-tetraethoxypentoxy)butoxy]pentane
CID 129150171
2-propoxy-1-(2-propoxyethoxy)hexane
CID 91395495
N-methyl-2,3-dipropoxypropan-1-amine
CID 21133087
[(2R,3R,4S,5E)-5-methoxyimino-1,3,4-tripropoxypentan-2-yl] methanesulfonate
CID 118336424
1-propoxypropan-1-amine;1-propoxypropane;hydrate
CID 88800294

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-1,2,3,4,5,6-hexapropoxyhexane?
The IUPAC name of (2R,3R,4R,5S)-1,2,3,4,5,6-hexapropoxyhexane (CID 87742557) is (2R,3R,4R,5S)-1,2,3,4,5,6-hexapropoxyhexane.
What is the SMILES notation for (2R,3R,4R,5S)-1,2,3,4,5,6-hexapropoxyhexane?
The canonical SMILES for (2R,3R,4R,5S)-1,2,3,4,5,6-hexapropoxyhexane is CCCOC[C@H](OCCC)[C@@H](OCCC)[C@H](OCCC)[C@@H](COCCC)OCCC.
What is the InChIKey of (2R,3R,4R,5S)-1,2,3,4,5,6-hexapropoxyhexane?
The InChIKey is OLHYYLHJPJLYNJ-UEQSERJNSA-N. The full InChI is InChI=1S/C24H50O6/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/h21-24H,7-20H2,1-6H3/t21-,22+,23-,24-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-1,2,3,4,5,6-hexapropoxyhexane?
(2R,3R,4R,5S)-1,2,3,4,5,6-hexapropoxyhexane has a molecular weight of 434.66 g/mol, XLogP of 5.02, 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-hexapropoxyhexane is sourced from PubChem (CID 87742557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).