2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol

C23H48O4 — CID 11234638

IUPAC2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol
SMILESCCCCCCCCCCCCCCOC(C)COC(C)COC(C)CO
InChIInChI=1S/C23H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25-22(3)19-27-23(4)20-26-21(2)18-24/h21-24H,5-20H2,1-4H3
InChIKeySHTJEWQNPXHXMT-UHFFFAOYSA-N
MW388.63 g/mol
LogP5.90
Rot. Bonds21

About 2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol

2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol (PubChem CID 11234638) has the molecular formula C23H48O4 and a molecular weight of 388.63 g/mol. Its IUPAC name is 2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol
PubChem CID11234638
Molecular FormulaC23H48O4
Molecular Weight388.63 g/mol
Exact Mass388.36
IUPAC Name2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol
SMILESCCCCCCCCCCCCCCOC(C)COC(C)COC(C)CO
InChIInChI=1S/C23H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25-22(3)19-27-23(4)20-26-21(2)18-24/h21-24H,5-20H2,1-4H3
InChIKeySHTJEWQNPXHXMT-UHFFFAOYSA-N
XLogP5.90
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.63
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(2-decoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 139973297
2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 11478535
2-(2-heptoxypropoxy)propan-1-ol
CID 90302123
2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol
CID 87247027
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 88651680
methane;2-octadecoxypropan-1-ol
CID 178185801
2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 101170306
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 140766817
2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136
1-dodecoxy-3-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 87802655
2-[2-(6-methylheptoxy)propoxy]propan-1-ol
CID 154124865
1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol?
The IUPAC name of 2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol (CID 11234638) is 2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol.
What is the SMILES notation for 2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol?
The canonical SMILES for 2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol is CCCCCCCCCCCCCCOC(C)COC(C)COC(C)CO.
What is the InChIKey of 2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol?
The InChIKey is SHTJEWQNPXHXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25-22(3)19-27-23(4)20-26-21(2)18-24/h21-24H,5-20H2,1-4H3.
What are the key properties of 2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol?
2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol has a molecular weight of 388.63 g/mol, XLogP of 5.90, 21 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol is sourced from PubChem (CID 11234638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).