2-(1-ethoxybut-2-ynoxy)oxane

C11H18O3 — CID 90824758

IUPAC2-(1-ethoxybut-2-ynoxy)oxane
SMILESCC#CC(OCC)OC1CCCCO1
InChIInChI=1S/C11H18O3/c1-3-7-10(12-4-2)14-11-8-5-6-9-13-11/h10-11H,4-6,8-9H2,1-2H3
InChIKeyPAAXGPDAASIKIF-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.92
Rot. Bonds4

About 2-(1-ethoxybut-2-ynoxy)oxane

2-(1-ethoxybut-2-ynoxy)oxane (PubChem CID 90824758) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-(1-ethoxybut-2-ynoxy)oxane.

Molecular Properties

Compound Name2-(1-ethoxybut-2-ynoxy)oxane
PubChem CID90824758
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-(1-ethoxybut-2-ynoxy)oxane
SMILESCC#CC(OCC)OC1CCCCO1
InChIInChI=1S/C11H18O3/c1-3-7-10(12-4-2)14-11-8-5-6-9-13-11/h10-11H,4-6,8-9H2,1-2H3
InChIKeyPAAXGPDAASIKIF-UHFFFAOYSA-N
XLogP1.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
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

2-butan-2-yloxyoxane
CID 559028
(2S)-2-(oxan-2-yloxy)pentan-3-ol
CID 89265028
magnesium;2-ethoxyoxane;dichloride
CID 158421621
2-hept-1-yn-3-yloxyoxane
CID 558910
7-(oxan-2-yloxy)dodec-2-yn-4-yl methanesulfonate
CID 172810498
3-(oxan-2-yloxy)butanoic acid
CID 14279636
hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne;2-(2-methylpropoxy)oxane
CID 159580205
2-[(Z,2S)-hex-3-en-2-yl]oxyoxane
CID 58329904
2-(oxan-2-yloxy)propanoic acid
CID 542280
ethyl 3,3,3-trifluoro-2-(oxan-2-yloxy)propanoate
CID 22913388
5-[4,4-diethoxy-1-[4-(oxan-2-yloxy)phenyl]but-2-ynyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 59132614
2-[(3R)-octan-3-yl]oxyoxane
CID 145000966

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxybut-2-ynoxy)oxane?
The IUPAC name of 2-(1-ethoxybut-2-ynoxy)oxane (CID 90824758) is 2-(1-ethoxybut-2-ynoxy)oxane.
What is the SMILES notation for 2-(1-ethoxybut-2-ynoxy)oxane?
The canonical SMILES for 2-(1-ethoxybut-2-ynoxy)oxane is CC#CC(OCC)OC1CCCCO1.
What is the InChIKey of 2-(1-ethoxybut-2-ynoxy)oxane?
The InChIKey is PAAXGPDAASIKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-7-10(12-4-2)14-11-8-5-6-9-13-11/h10-11H,4-6,8-9H2,1-2H3.
What are the key properties of 2-(1-ethoxybut-2-ynoxy)oxane?
2-(1-ethoxybut-2-ynoxy)oxane has a molecular weight of 198.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxybut-2-ynoxy)oxane is sourced from PubChem (CID 90824758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).