1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane

C28H58O5 — CID 150016958

IUPAC1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
SMILESCCCCCCCCCCOC(C)COC(C)COC(C)COC(C)COCCCCCC
InChIInChI=1S/C28H58O5/c1-7-9-11-13-14-15-16-18-20-30-26(4)22-32-28(6)24-33-27(5)23-31-25(3)21-29-19-17-12-10-8-2/h25-28H,7-24H2,1-6H3
InChIKeyDELUSGXTIJNBQS-UHFFFAOYSA-N
MW474.77 g/mol
LogP7.34
Rot. Bonds26

About 1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane

1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane (PubChem CID 150016958) has the molecular formula C28H58O5 and a molecular weight of 474.77 g/mol. Its IUPAC name is 1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane.

Molecular Properties

Compound Name1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
PubChem CID150016958
Molecular FormulaC28H58O5
Molecular Weight474.77 g/mol
Exact Mass474.43
IUPAC Name1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
SMILESCCCCCCCCCCOC(C)COC(C)COC(C)COC(C)COCCCCCC
InChIInChI=1S/C28H58O5/c1-7-9-11-13-14-15-16-18-20-30-26(4)22-32-28(6)24-33-27(5)23-31-25(3)21-29-19-17-12-10-8-2/h25-28H,7-24H2,1-6H3
InChIKeyDELUSGXTIJNBQS-UHFFFAOYSA-N
XLogP7.34
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.77
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane with MolForge

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Related Compounds

1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399
1-(2-hexoxypropoxy)hexane
CID 71353992
1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 57074955
1-[1-(1-ethoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 155168253
1-(2-propoxypropoxy)pentane
CID 22002926
1-(1-propoxypropan-2-yloxy)pentane
CID 154093458
1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 90302179
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 140766817
2-[2-[2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139596934
2-[2-[1-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol
CID 139597772
2-[2-[2-[2-[2-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595319
2-[2-[1-[1-(1-pentadecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol
CID 139596177

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane?
The IUPAC name of 1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane (CID 150016958) is 1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane.
What is the SMILES notation for 1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane?
The canonical SMILES for 1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane is CCCCCCCCCCOC(C)COC(C)COC(C)COC(C)COCCCCCC.
What is the InChIKey of 1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane?
The InChIKey is DELUSGXTIJNBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O5/c1-7-9-11-13-14-15-16-18-20-30-26(4)22-32-28(6)24-33-27(5)23-31-25(3)21-29-19-17-12-10-8-2/h25-28H,7-24H2,1-6H3.
What are the key properties of 1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane?
1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane has a molecular weight of 474.77 g/mol, XLogP of 7.34, 26 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane is sourced from PubChem (CID 150016958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).