2-(1-propoxypropan-2-yloxy)ethanol

C8H18O3 — CID 59676189

IUPAC2-(1-propoxypropan-2-yloxy)ethanol
SMILESCCCOCC(C)OCCO
InChIInChI=1S/C8H18O3/c1-3-5-10-7-8(2)11-6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyBUGNPBLGJGMTJE-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.81
Rot. Bonds7

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

2-(1-propoxypropan-2-yloxy)ethanol (PubChem CID 59676189) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-(1-propoxypropan-2-yloxy)ethanol.

Molecular Properties

Compound Name2-(1-propoxypropan-2-yloxy)ethanol
PubChem CID59676189
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name2-(1-propoxypropan-2-yloxy)ethanol
SMILESCCCOCC(C)OCCO
InChIInChI=1S/C8H18O3/c1-3-5-10-7-8(2)11-6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyBUGNPBLGJGMTJE-UHFFFAOYSA-N
XLogP0.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.81
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-propoxypropan-2-yloxy)ethanol?
The IUPAC name of 2-(1-propoxypropan-2-yloxy)ethanol (CID 59676189) is 2-(1-propoxypropan-2-yloxy)ethanol.
What is the SMILES notation for 2-(1-propoxypropan-2-yloxy)ethanol?
The canonical SMILES for 2-(1-propoxypropan-2-yloxy)ethanol is CCCOCC(C)OCCO.
What is the InChIKey of 2-(1-propoxypropan-2-yloxy)ethanol?
The InChIKey is BUGNPBLGJGMTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-3-5-10-7-8(2)11-6-4-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-(1-propoxypropan-2-yloxy)ethanol?
2-(1-propoxypropan-2-yloxy)ethanol has a molecular weight of 162.23 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propoxypropan-2-yloxy)ethanol is sourced from PubChem (CID 59676189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).