2-[2-(4-prop-2-ynoxybut-2-ynoxy)ethoxy]oxane

C14H20O4 — CID 154684235

IUPAC2-[2-(4-prop-2-ynoxybut-2-ynoxy)ethoxy]oxane
SMILESC#CCOCC#CCOCCOC1CCCCO1
InChIInChI=1S/C14H20O4/c1-2-8-15-9-5-6-10-16-12-13-18-14-7-3-4-11-17-14/h1,14H,3-4,7-13H2
InChIKeyAHPSSIOYGBGOGS-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.20
Rot. Bonds7

About 2-[2-(4-prop-2-ynoxybut-2-ynoxy)ethoxy]oxane

2-[2-(4-prop-2-ynoxybut-2-ynoxy)ethoxy]oxane (PubChem CID 154684235) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-(4-prop-2-ynoxybut-2-ynoxy)ethoxy]oxane.

Molecular Properties

Compound Name2-[2-(4-prop-2-ynoxybut-2-ynoxy)ethoxy]oxane
PubChem CID154684235
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-[2-(4-prop-2-ynoxybut-2-ynoxy)ethoxy]oxane
SMILESC#CCOCC#CCOCCOC1CCCCO1
InChIInChI=1S/C14H20O4/c1-2-8-15-9-5-6-10-16-12-13-18-14-7-3-4-11-17-14/h1,14H,3-4,7-13H2
InChIKeyAHPSSIOYGBGOGS-UHFFFAOYSA-N
XLogP1.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.20
H-Bond Donors ≤ 50
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

2-[2-(4-prop-2-ynoxybutoxy)ethoxy]oxane
CID 170636909
2-(3-prop-2-ynoxypropoxy)oxane
CID 14141844
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-[2-[2-(oxolan-2-yloxy)ethoxy]ethoxy]oxolane
CID 70907878
2-[2-[2-[3-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-2,2-bis[2-[2-(oxan-2-yloxy)ethoxy]ethoxymethyl]propoxy]ethoxy]ethoxy]oxane
CID 11181986
2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996
2-(4-ethoxybut-2-ynoxy)oxane
CID 68529463
2-[2-(cyclopropylmethoxy)ethoxy]oxane
CID 66652846
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
2-[2-[2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 10646224
2-(12-bromododecoxy)oxane
CID 11078592

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-prop-2-ynoxybut-2-ynoxy)ethoxy]oxane?
The IUPAC name of 2-[2-(4-prop-2-ynoxybut-2-ynoxy)ethoxy]oxane (CID 154684235) is 2-[2-(4-prop-2-ynoxybut-2-ynoxy)ethoxy]oxane.
What is the SMILES notation for 2-[2-(4-prop-2-ynoxybut-2-ynoxy)ethoxy]oxane?
The canonical SMILES for 2-[2-(4-prop-2-ynoxybut-2-ynoxy)ethoxy]oxane is C#CCOCC#CCOCCOC1CCCCO1.
What is the InChIKey of 2-[2-(4-prop-2-ynoxybut-2-ynoxy)ethoxy]oxane?
The InChIKey is AHPSSIOYGBGOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-2-8-15-9-5-6-10-16-12-13-18-14-7-3-4-11-17-14/h1,14H,3-4,7-13H2.
What are the key properties of 2-[2-(4-prop-2-ynoxybut-2-ynoxy)ethoxy]oxane?
2-[2-(4-prop-2-ynoxybut-2-ynoxy)ethoxy]oxane has a molecular weight of 252.31 g/mol, XLogP of 1.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-prop-2-ynoxybut-2-ynoxy)ethoxy]oxane is sourced from PubChem (CID 154684235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).