2-(4-ethoxybut-2-ynoxy)oxane

C11H18O3 — CID 68529463

IUPAC2-(4-ethoxybut-2-ynoxy)oxane
SMILESCCOCC#CCOC1CCCCO1
InChIInChI=1S/C11H18O3/c1-2-12-8-5-6-10-14-11-7-3-4-9-13-11/h11H,2-4,7-10H2,1H3
InChIKeyLFGRHSVYVMTNQJ-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.57
Rot. Bonds4

About 2-(4-ethoxybut-2-ynoxy)oxane

2-(4-ethoxybut-2-ynoxy)oxane (PubChem CID 68529463) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-(4-ethoxybut-2-ynoxy)oxane.

Molecular Properties

Compound Name2-(4-ethoxybut-2-ynoxy)oxane
PubChem CID68529463
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-(4-ethoxybut-2-ynoxy)oxane
SMILESCCOCC#CCOC1CCCCO1
InChIInChI=1S/C11H18O3/c1-2-12-8-5-6-10-14-11-7-3-4-9-13-11/h11H,2-4,7-10H2,1H3
InChIKeyLFGRHSVYVMTNQJ-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-ethoxybut-2-ynoxy)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hex-2-ynoxyoxane
CID 11041365
2-dodeca-2,7-diynoxyoxane
CID 57283725
2-octadeca-2,5,8-triynoxyoxane
CID 11099965
magnesium;2-ethoxyoxane;dichloride
CID 158421621
(2R)-2-(6-iodohex-2-ynoxy)oxane
CID 124672395
2-(6-bromohex-2-ynoxy)oxane
CID 10801356
2-(7,7,7-trimethoxyhept-2-ynoxy)oxane
CID 71335420
2-[2-(4-prop-2-ynoxybut-2-ynoxy)ethoxy]oxane
CID 154684235
2-(4-phenoxybut-2-ynoxy)oxane
CID 19849494
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]pyridine
CID 155226523
2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxybut-2-ynoxy)oxane?
The IUPAC name of 2-(4-ethoxybut-2-ynoxy)oxane (CID 68529463) is 2-(4-ethoxybut-2-ynoxy)oxane.
What is the SMILES notation for 2-(4-ethoxybut-2-ynoxy)oxane?
The canonical SMILES for 2-(4-ethoxybut-2-ynoxy)oxane is CCOCC#CCOC1CCCCO1.
What is the InChIKey of 2-(4-ethoxybut-2-ynoxy)oxane?
The InChIKey is LFGRHSVYVMTNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-12-8-5-6-10-14-11-7-3-4-9-13-11/h11H,2-4,7-10H2,1H3.
What are the key properties of 2-(4-ethoxybut-2-ynoxy)oxane?
2-(4-ethoxybut-2-ynoxy)oxane has a molecular weight of 198.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxybut-2-ynoxy)oxane is sourced from PubChem (CID 68529463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).