1,2,3,4,5,6-hexapropoxyhexane

C24H50O6 — CID 23160396

IUPAC1,2,3,4,5,6-hexapropoxyhexane
SMILESCCCOCC(OCCC)C(OCCC)C(OCCC)C(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
InChIKeyOLHYYLHJPJLYNJ-UHFFFAOYSA-N
MW434.66 g/mol
LogP5.02
Rot. Bonds23

About 1,2,3,4,5,6-hexapropoxyhexane

1,2,3,4,5,6-hexapropoxyhexane (PubChem CID 23160396) has the molecular formula C24H50O6 and a molecular weight of 434.66 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexapropoxyhexane.

Molecular Properties

Compound Name1,2,3,4,5,6-hexapropoxyhexane
PubChem CID23160396
Molecular FormulaC24H50O6
Molecular Weight434.66 g/mol
Exact Mass434.36
IUPAC Name1,2,3,4,5,6-hexapropoxyhexane
SMILESCCCOCC(OCCC)C(OCCC)C(OCCC)C(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
InChIKeyOLHYYLHJPJLYNJ-UHFFFAOYSA-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'}

Analyze 1,2,3,4,5,6-hexapropoxyhexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexapropoxyhexane?
The IUPAC name of 1,2,3,4,5,6-hexapropoxyhexane (CID 23160396) is 1,2,3,4,5,6-hexapropoxyhexane.
What is the SMILES notation for 1,2,3,4,5,6-hexapropoxyhexane?
The canonical SMILES for 1,2,3,4,5,6-hexapropoxyhexane is CCCOCC(OCCC)C(OCCC)C(OCCC)C(COCCC)OCCC.
What is the InChIKey of 1,2,3,4,5,6-hexapropoxyhexane?
The InChIKey is OLHYYLHJPJLYNJ-UHFFFAOYSA-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.
What are the key properties of 1,2,3,4,5,6-hexapropoxyhexane?
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 1,2,3,4,5,6-hexapropoxyhexane is sourced from PubChem (CID 23160396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).