2-(1-octoxypropan-2-yloxy)ethanol

C13H28O3 — CID 59000352

IUPAC2-(1-octoxypropan-2-yloxy)ethanol
SMILESCCCCCCCCOCC(C)OCCO
InChIInChI=1S/C13H28O3/c1-3-4-5-6-7-8-10-15-12-13(2)16-11-9-14/h13-14H,3-12H2,1-2H3
InChIKeyLQBRMJQEWNMENK-UHFFFAOYSA-N
MW232.36 g/mol
LogP2.76
Rot. Bonds12

About 2-(1-octoxypropan-2-yloxy)ethanol

2-(1-octoxypropan-2-yloxy)ethanol (PubChem CID 59000352) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 2-(1-octoxypropan-2-yloxy)ethanol.

Molecular Properties

Compound Name2-(1-octoxypropan-2-yloxy)ethanol
PubChem CID59000352
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name2-(1-octoxypropan-2-yloxy)ethanol
SMILESCCCCCCCCOCC(C)OCCO
InChIInChI=1S/C13H28O3/c1-3-4-5-6-7-8-10-15-12-13(2)16-11-9-14/h13-14H,3-12H2,1-2H3
InChIKeyLQBRMJQEWNMENK-UHFFFAOYSA-N
XLogP2.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[1-[1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594793
2-[2-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]ethoxy]ethanol
CID 139597047
2-[2-[2-[2-[1-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139596809
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-[2-[1-(1-hexadecoxypropan-2-yloxy)propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139597568
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
2-[2-[2-[2-[2-[1-[1-[1-[1-(1-tridecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594995
1-(2-propoxypropoxy)pentane
CID 22002926
1-(2-hexoxypropoxy)hexane
CID 71353992
1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
CID 150016958

Frequently Asked Questions

What is the IUPAC name of 2-(1-octoxypropan-2-yloxy)ethanol?
The IUPAC name of 2-(1-octoxypropan-2-yloxy)ethanol (CID 59000352) is 2-(1-octoxypropan-2-yloxy)ethanol.
What is the SMILES notation for 2-(1-octoxypropan-2-yloxy)ethanol?
The canonical SMILES for 2-(1-octoxypropan-2-yloxy)ethanol is CCCCCCCCOCC(C)OCCO.
What is the InChIKey of 2-(1-octoxypropan-2-yloxy)ethanol?
The InChIKey is LQBRMJQEWNMENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-3-4-5-6-7-8-10-15-12-13(2)16-11-9-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 2-(1-octoxypropan-2-yloxy)ethanol?
2-(1-octoxypropan-2-yloxy)ethanol has a molecular weight of 232.36 g/mol, XLogP of 2.76, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-octoxypropan-2-yloxy)ethanol is sourced from PubChem (CID 59000352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).