1,4-bis(prop-2-ynoxy)but-2-yne

C10H10O2 — CID 10888229

IUPAC1,4-bis(prop-2-ynoxy)but-2-yne
SMILESC#CCOCC#CCOCC#C
InChIInChI=1S/C10H10O2/c1-3-7-11-9-5-6-10-12-8-4-2/h1-2H,7-10H2
InChIKeySDASYLROYWBPMO-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.29
Rot. Bonds4

About 1,4-bis(prop-2-ynoxy)but-2-yne

1,4-bis(prop-2-ynoxy)but-2-yne (PubChem CID 10888229) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1,4-bis(prop-2-ynoxy)but-2-yne.

Molecular Properties

Compound Name1,4-bis(prop-2-ynoxy)but-2-yne
PubChem CID10888229
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name1,4-bis(prop-2-ynoxy)but-2-yne
SMILESC#CCOCC#CCOCC#C
InChIInChI=1S/C10H10O2/c1-3-7-11-9-5-6-10-12-8-4-2/h1-2H,7-10H2
InChIKeySDASYLROYWBPMO-UHFFFAOYSA-N
XLogP0.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(prop-2-ynoxy)but-2-yne?
The IUPAC name of 1,4-bis(prop-2-ynoxy)but-2-yne (CID 10888229) is 1,4-bis(prop-2-ynoxy)but-2-yne.
What is the SMILES notation for 1,4-bis(prop-2-ynoxy)but-2-yne?
The canonical SMILES for 1,4-bis(prop-2-ynoxy)but-2-yne is C#CCOCC#CCOCC#C.
What is the InChIKey of 1,4-bis(prop-2-ynoxy)but-2-yne?
The InChIKey is SDASYLROYWBPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-3-7-11-9-5-6-10-12-8-4-2/h1-2H,7-10H2.
What are the key properties of 1,4-bis(prop-2-ynoxy)but-2-yne?
1,4-bis(prop-2-ynoxy)but-2-yne has a molecular weight of 162.19 g/mol, XLogP of 0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(prop-2-ynoxy)but-2-yne is sourced from PubChem (CID 10888229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).