1-[2-(2-decoxypropoxy)propoxy]decane

C26H54O3 — CID 19693399

IUPAC1-[2-(2-decoxypropoxy)propoxy]decane
SMILESCCCCCCCCCCOCC(C)OCC(C)OCCCCCCCCCC
InChIInChI=1S/C26H54O3/c1-5-7-9-11-13-15-17-19-21-27-23-25(3)29-24-26(4)28-22-20-18-16-14-12-10-8-6-2/h25-26H,5-24H2,1-4H3
InChIKeyRRQFXZURXRJDNJ-UHFFFAOYSA-N
MW414.72 g/mol
LogP8.09
Rot. Bonds24

About 1-[2-(2-decoxypropoxy)propoxy]decane

1-[2-(2-decoxypropoxy)propoxy]decane (PubChem CID 19693399) has the molecular formula C26H54O3 and a molecular weight of 414.72 g/mol. Its IUPAC name is 1-[2-(2-decoxypropoxy)propoxy]decane.

Molecular Properties

Compound Name1-[2-(2-decoxypropoxy)propoxy]decane
PubChem CID19693399
Molecular FormulaC26H54O3
Molecular Weight414.72 g/mol
Exact Mass414.41
IUPAC Name1-[2-(2-decoxypropoxy)propoxy]decane
SMILESCCCCCCCCCCOCC(C)OCC(C)OCCCCCCCCCC
InChIInChI=1S/C26H54O3/c1-5-7-9-11-13-15-17-19-21-27-23-25(3)29-24-26(4)28-22-20-18-16-14-12-10-8-6-2/h25-26H,5-24H2,1-4H3
InChIKeyRRQFXZURXRJDNJ-UHFFFAOYSA-N
XLogP8.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.72
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
CID 150016958
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-[2-(2-decoxypropoxy)propoxy]decane?
The IUPAC name of 1-[2-(2-decoxypropoxy)propoxy]decane (CID 19693399) is 1-[2-(2-decoxypropoxy)propoxy]decane.
What is the SMILES notation for 1-[2-(2-decoxypropoxy)propoxy]decane?
The canonical SMILES for 1-[2-(2-decoxypropoxy)propoxy]decane is CCCCCCCCCCOCC(C)OCC(C)OCCCCCCCCCC.
What is the InChIKey of 1-[2-(2-decoxypropoxy)propoxy]decane?
The InChIKey is RRQFXZURXRJDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O3/c1-5-7-9-11-13-15-17-19-21-27-23-25(3)29-24-26(4)28-22-20-18-16-14-12-10-8-6-2/h25-26H,5-24H2,1-4H3.
What are the key properties of 1-[2-(2-decoxypropoxy)propoxy]decane?
1-[2-(2-decoxypropoxy)propoxy]decane has a molecular weight of 414.72 g/mol, XLogP of 8.09, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-decoxypropoxy)propoxy]decane is sourced from PubChem (CID 19693399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).