1-[2-(2-hydroxyethoxy)ethoxy]pent-3-yn-2-ol

C9H16O4 — CID 141188993

IUPAC1-[2-(2-hydroxyethoxy)ethoxy]pent-3-yn-2-ol
SMILESCC#CC(O)COCCOCCO
InChIInChI=1S/C9H16O4/c1-2-3-9(11)8-13-7-6-12-5-4-10/h9-11H,4-8H2,1H3
InChIKeyYXQIELMYHJUWAS-UHFFFAOYSA-N
MW188.22 g/mol
LogP-0.60
Rot. Bonds7

About 1-[2-(2-hydroxyethoxy)ethoxy]pent-3-yn-2-ol

1-[2-(2-hydroxyethoxy)ethoxy]pent-3-yn-2-ol (PubChem CID 141188993) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethoxy]pent-3-yn-2-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethoxy]pent-3-yn-2-ol
PubChem CID141188993
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name1-[2-(2-hydroxyethoxy)ethoxy]pent-3-yn-2-ol
SMILESCC#CC(O)COCCOCCO
InChIInChI=1S/C9H16O4/c1-2-3-9(11)8-13-7-6-12-5-4-10/h9-11H,4-8H2,1H3
InChIKeyYXQIELMYHJUWAS-UHFFFAOYSA-N
XLogP-0.60
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-methoxypropan-2-ol
CID 88655335
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-sulfanylethanol
CID 178070711
1-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutan-2-ol
CID 140523652
2-[2-[2-[2-[2-(2-amino-2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 90384666
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethoxy]pent-3-yn-2-ol?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethoxy]pent-3-yn-2-ol (CID 141188993) is 1-[2-(2-hydroxyethoxy)ethoxy]pent-3-yn-2-ol.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethoxy]pent-3-yn-2-ol?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethoxy]pent-3-yn-2-ol is CC#CC(O)COCCOCCO.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethoxy]pent-3-yn-2-ol?
The InChIKey is YXQIELMYHJUWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-2-3-9(11)8-13-7-6-12-5-4-10/h9-11H,4-8H2,1H3.
What are the key properties of 1-[2-(2-hydroxyethoxy)ethoxy]pent-3-yn-2-ol?
1-[2-(2-hydroxyethoxy)ethoxy]pent-3-yn-2-ol has a molecular weight of 188.22 g/mol, XLogP of -0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethoxy]pent-3-yn-2-ol is sourced from PubChem (CID 141188993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).