5-(2-ethoxyethoxy)-1-(1-hydroxypropan-2-yloxy)pentan-2-ol

C12H26O5 — CID 175055675

IUPAC5-(2-ethoxyethoxy)-1-(1-hydroxypropan-2-yloxy)pentan-2-ol
SMILESCCOCCOCCCC(O)COC(C)CO
InChIInChI=1S/C12H26O5/c1-3-15-7-8-16-6-4-5-12(14)10-17-11(2)9-13/h11-14H,3-10H2,1-2H3
InChIKeyKEVIWQTULMHYMA-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.58
Rot. Bonds12

About 5-(2-ethoxyethoxy)-1-(1-hydroxypropan-2-yloxy)pentan-2-ol

5-(2-ethoxyethoxy)-1-(1-hydroxypropan-2-yloxy)pentan-2-ol (PubChem CID 175055675) has the molecular formula C12H26O5 and a molecular weight of 250.33 g/mol. Its IUPAC name is 5-(2-ethoxyethoxy)-1-(1-hydroxypropan-2-yloxy)pentan-2-ol.

Molecular Properties

Compound Name5-(2-ethoxyethoxy)-1-(1-hydroxypropan-2-yloxy)pentan-2-ol
PubChem CID175055675
Molecular FormulaC12H26O5
Molecular Weight250.33 g/mol
Exact Mass250.18
IUPAC Name5-(2-ethoxyethoxy)-1-(1-hydroxypropan-2-yloxy)pentan-2-ol
SMILESCCOCCOCCCC(O)COC(C)CO
InChIInChI=1S/C12H26O5/c1-3-15-7-8-16-6-4-5-12(14)10-17-11(2)9-13/h11-14H,3-10H2,1-2H3
InChIKeyKEVIWQTULMHYMA-UHFFFAOYSA-N
XLogP0.58
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1-hydroxypropan-2-yloxy)decan-2-ol
CID 160879010
2-(2-ethoxyethoxy)ethyl acetate;2-(2-hydroxypropoxy)propan-1-ol
CID 162146312
1-dodecoxy-3-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 87802655
3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol
CID 57186683
2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 101170306
1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 141265881
2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane
CID 23067081
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane
CID 87650391
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 175740296
1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 161457243
1-methoxy-5-propoxypentan-2-ol
CID 106455960
1-ethoxy-5-methoxypentan-2-ol
CID 79566643

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethoxy)-1-(1-hydroxypropan-2-yloxy)pentan-2-ol?
The IUPAC name of 5-(2-ethoxyethoxy)-1-(1-hydroxypropan-2-yloxy)pentan-2-ol (CID 175055675) is 5-(2-ethoxyethoxy)-1-(1-hydroxypropan-2-yloxy)pentan-2-ol.
What is the SMILES notation for 5-(2-ethoxyethoxy)-1-(1-hydroxypropan-2-yloxy)pentan-2-ol?
The canonical SMILES for 5-(2-ethoxyethoxy)-1-(1-hydroxypropan-2-yloxy)pentan-2-ol is CCOCCOCCCC(O)COC(C)CO.
What is the InChIKey of 5-(2-ethoxyethoxy)-1-(1-hydroxypropan-2-yloxy)pentan-2-ol?
The InChIKey is KEVIWQTULMHYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5/c1-3-15-7-8-16-6-4-5-12(14)10-17-11(2)9-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 5-(2-ethoxyethoxy)-1-(1-hydroxypropan-2-yloxy)pentan-2-ol?
5-(2-ethoxyethoxy)-1-(1-hydroxypropan-2-yloxy)pentan-2-ol has a molecular weight of 250.33 g/mol, XLogP of 0.58, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethoxy)-1-(1-hydroxypropan-2-yloxy)pentan-2-ol is sourced from PubChem (CID 175055675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).