2-(1-octan-2-yloxypropan-2-yloxy)ethanol

C13H28O3 — CID 20688305

IUPAC2-(1-octan-2-yloxypropan-2-yloxy)ethanol
SMILESCCCCCCC(C)OCC(C)OCCO
InChIInChI=1S/C13H28O3/c1-4-5-6-7-8-12(2)16-11-13(3)15-10-9-14/h12-14H,4-11H2,1-3H3
InChIKeyQITXPGYEOWGHLI-UHFFFAOYSA-N
MW232.36 g/mol
LogP2.76
Rot. Bonds11

About 2-(1-octan-2-yloxypropan-2-yloxy)ethanol

2-(1-octan-2-yloxypropan-2-yloxy)ethanol (PubChem CID 20688305) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 2-(1-octan-2-yloxypropan-2-yloxy)ethanol.

Molecular Properties

Compound Name2-(1-octan-2-yloxypropan-2-yloxy)ethanol
PubChem CID20688305
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name2-(1-octan-2-yloxypropan-2-yloxy)ethanol
SMILESCCCCCCC(C)OCC(C)OCCO
InChIInChI=1S/C13H28O3/c1-4-5-6-7-8-12(2)16-11-13(3)15-10-9-14/h12-14H,4-11H2,1-3H3
InChIKeyQITXPGYEOWGHLI-UHFFFAOYSA-N
XLogP2.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
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-decan-2-yloxyethanol;sulfuric acid
CID 158151690
2-(2-dodecan-2-yloxyethoxy)ethanol
CID 71420952
2-[2-(2-decan-2-yloxyethoxy)ethoxy]ethanol
CID 87813837
2-(1-octoxypropan-2-yloxy)ethanol
CID 59000352
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 11478535
2-[2-[2-[2-(2-decoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 139973297
2-(2-heptoxypropoxy)propan-1-ol
CID 90302123
2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol
CID 11234638

Frequently Asked Questions

What is the IUPAC name of 2-(1-octan-2-yloxypropan-2-yloxy)ethanol?
The IUPAC name of 2-(1-octan-2-yloxypropan-2-yloxy)ethanol (CID 20688305) is 2-(1-octan-2-yloxypropan-2-yloxy)ethanol.
What is the SMILES notation for 2-(1-octan-2-yloxypropan-2-yloxy)ethanol?
The canonical SMILES for 2-(1-octan-2-yloxypropan-2-yloxy)ethanol is CCCCCCC(C)OCC(C)OCCO.
What is the InChIKey of 2-(1-octan-2-yloxypropan-2-yloxy)ethanol?
The InChIKey is QITXPGYEOWGHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-4-5-6-7-8-12(2)16-11-13(3)15-10-9-14/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-(1-octan-2-yloxypropan-2-yloxy)ethanol?
2-(1-octan-2-yloxypropan-2-yloxy)ethanol has a molecular weight of 232.36 g/mol, XLogP of 2.76, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-octan-2-yloxypropan-2-yloxy)ethanol is sourced from PubChem (CID 20688305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).