2-(1-ethoxyprop-2-ynoxy)ethanol

C7H12O3 — CID 175543174

IUPAC2-(1-ethoxyprop-2-ynoxy)ethanol
SMILESC#CC(OCC)OCCO
InChIInChI=1S/C7H12O3/c1-3-7(9-4-2)10-6-5-8/h1,7-8H,4-6H2,2H3
InChIKeyJNCAQTXHCHVNSJ-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.01
Rot. Bonds5

About 2-(1-ethoxyprop-2-ynoxy)ethanol

2-(1-ethoxyprop-2-ynoxy)ethanol (PubChem CID 175543174) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-(1-ethoxyprop-2-ynoxy)ethanol.

Molecular Properties

Compound Name2-(1-ethoxyprop-2-ynoxy)ethanol
PubChem CID175543174
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-(1-ethoxyprop-2-ynoxy)ethanol
SMILESC#CC(OCC)OCCO
InChIInChI=1S/C7H12O3/c1-3-7(9-4-2)10-6-5-8/h1,7-8H,4-6H2,2H3
InChIKeyJNCAQTXHCHVNSJ-UHFFFAOYSA-N
XLogP-0.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3,3-dipropoxyprop-1-yne
CID 22737752
(2S)-3-ethoxy-3-(2-hydroxyethoxy)propane-1,2-diol
CID 89386326
2-pent-4-yn-2-yloxyethanol
CID 130124823
2,3-diethoxy-4-(2-hydroxyethoxy)pentane-1,5-diol
CID 90387499
2-(3,3-diethoxyprop-1-enoxy)ethanol
CID 154116417
2-[3-(2-hydroxyethoxy)butan-2-yloxy]ethanol
CID 14291300
2-[1-(2-hydroxyethoxy)pentadec-2-ynoxy]ethanol
CID 15003147
4-(1-ethoxypentadec-2-ynoxy)butan-1-ol
CID 15003163
2-butan-2-yloxyethanol;rutherfordium
CID 164705656
2-[(2S)-3-methylpentan-2-yl]oxyethanol
CID 91428626
2-(1-chloropropoxy)ethanol
CID 19070492
2,3-diethoxybutane;ethane-1,2-diol
CID 158153184

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyprop-2-ynoxy)ethanol?
The IUPAC name of 2-(1-ethoxyprop-2-ynoxy)ethanol (CID 175543174) is 2-(1-ethoxyprop-2-ynoxy)ethanol.
What is the SMILES notation for 2-(1-ethoxyprop-2-ynoxy)ethanol?
The canonical SMILES for 2-(1-ethoxyprop-2-ynoxy)ethanol is C#CC(OCC)OCCO.
What is the InChIKey of 2-(1-ethoxyprop-2-ynoxy)ethanol?
The InChIKey is JNCAQTXHCHVNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-7(9-4-2)10-6-5-8/h1,7-8H,4-6H2,2H3.
What are the key properties of 2-(1-ethoxyprop-2-ynoxy)ethanol?
2-(1-ethoxyprop-2-ynoxy)ethanol has a molecular weight of 144.17 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyprop-2-ynoxy)ethanol is sourced from PubChem (CID 175543174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).