1,5-bis(prop-2-ynoxy)pent-2-yne

C11H12O2 — CID 11389709

IUPAC1,5-bis(prop-2-ynoxy)pent-2-yne
SMILESC#CCOCC#CCCOCC#C
InChIInChI=1S/C11H12O2/c1-3-8-12-10-6-5-7-11-13-9-4-2/h1-2H,6,8-11H2
InChIKeyGIHDXJMEORYRCF-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.68
Rot. Bonds5

About 1,5-bis(prop-2-ynoxy)pent-2-yne

1,5-bis(prop-2-ynoxy)pent-2-yne (PubChem CID 11389709) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1,5-bis(prop-2-ynoxy)pent-2-yne.

Molecular Properties

Compound Name1,5-bis(prop-2-ynoxy)pent-2-yne
PubChem CID11389709
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name1,5-bis(prop-2-ynoxy)pent-2-yne
SMILESC#CCOCC#CCCOCC#C
InChIInChI=1S/C11H12O2/c1-3-8-12-10-6-5-7-11-13-9-4-2/h1-2H,6,8-11H2
InChIKeyGIHDXJMEORYRCF-UHFFFAOYSA-N
XLogP0.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.68
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 1,5-bis(prop-2-ynoxy)pent-2-yne?
The IUPAC name of 1,5-bis(prop-2-ynoxy)pent-2-yne (CID 11389709) is 1,5-bis(prop-2-ynoxy)pent-2-yne.
What is the SMILES notation for 1,5-bis(prop-2-ynoxy)pent-2-yne?
The canonical SMILES for 1,5-bis(prop-2-ynoxy)pent-2-yne is C#CCOCC#CCCOCC#C.
What is the InChIKey of 1,5-bis(prop-2-ynoxy)pent-2-yne?
The InChIKey is GIHDXJMEORYRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-3-8-12-10-6-5-7-11-13-9-4-2/h1-2H,6,8-11H2.
What are the key properties of 1,5-bis(prop-2-ynoxy)pent-2-yne?
1,5-bis(prop-2-ynoxy)pent-2-yne has a molecular weight of 176.22 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(prop-2-ynoxy)pent-2-yne is sourced from PubChem (CID 11389709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).