3-(4-but-3-yn-2-yloxybut-2-ynoxy)prop-2-yn-1-ol

C11H12O3 — CID 91368736

IUPAC3-(4-but-3-yn-2-yloxybut-2-ynoxy)prop-2-yn-1-ol
SMILESC#CC(C)OCC#CCOC#CCO
InChIInChI=1S/C11H12O3/c1-3-11(2)14-10-5-4-8-13-9-6-7-12/h1,11-12H,7-8,10H2,2H3
InChIKeyYOBYNOJSOINRCO-UHFFFAOYSA-N
MW192.21 g/mol
LogP-0.00
Rot. Bonds3

About 3-(4-but-3-yn-2-yloxybut-2-ynoxy)prop-2-yn-1-ol

3-(4-but-3-yn-2-yloxybut-2-ynoxy)prop-2-yn-1-ol (PubChem CID 91368736) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-(4-but-3-yn-2-yloxybut-2-ynoxy)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(4-but-3-yn-2-yloxybut-2-ynoxy)prop-2-yn-1-ol
PubChem CID91368736
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-(4-but-3-yn-2-yloxybut-2-ynoxy)prop-2-yn-1-ol
SMILESC#CC(C)OCC#CCOC#CCO
InChIInChI=1S/C11H12O3/c1-3-11(2)14-10-5-4-8-13-9-6-7-12/h1,11-12H,7-8,10H2,2H3
InChIKeyYOBYNOJSOINRCO-UHFFFAOYSA-N
XLogP-0.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(4-but-3-yn-2-yloxybut-2-ynoxy)prop-2-yn-1-ol?
The IUPAC name of 3-(4-but-3-yn-2-yloxybut-2-ynoxy)prop-2-yn-1-ol (CID 91368736) is 3-(4-but-3-yn-2-yloxybut-2-ynoxy)prop-2-yn-1-ol.
What is the SMILES notation for 3-(4-but-3-yn-2-yloxybut-2-ynoxy)prop-2-yn-1-ol?
The canonical SMILES for 3-(4-but-3-yn-2-yloxybut-2-ynoxy)prop-2-yn-1-ol is C#CC(C)OCC#CCOC#CCO.
What is the InChIKey of 3-(4-but-3-yn-2-yloxybut-2-ynoxy)prop-2-yn-1-ol?
The InChIKey is YOBYNOJSOINRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-3-11(2)14-10-5-4-8-13-9-6-7-12/h1,11-12H,7-8,10H2,2H3.
What are the key properties of 3-(4-but-3-yn-2-yloxybut-2-ynoxy)prop-2-yn-1-ol?
3-(4-but-3-yn-2-yloxybut-2-ynoxy)prop-2-yn-1-ol has a molecular weight of 192.21 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-but-3-yn-2-yloxybut-2-ynoxy)prop-2-yn-1-ol is sourced from PubChem (CID 91368736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).