1-[(2R)-but-3-en-2-yl]oxybut-2-yne

C8H12O — CID 101459031

IUPAC1-[(2R)-but-3-en-2-yl]oxybut-2-yne
SMILESC=C[C@@H](C)OCC#CC
InChIInChI=1S/C8H12O/c1-4-6-7-9-8(3)5-2/h5,8H,2,7H2,1,3H3/t8-/m1/s1
InChIKeyZASZDQCISJEADO-MRVPVSSYSA-N
MW124.18 g/mol
LogP1.60
Rot. Bonds3

About 1-[(2R)-but-3-en-2-yl]oxybut-2-yne

1-[(2R)-but-3-en-2-yl]oxybut-2-yne (PubChem CID 101459031) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-[(2R)-but-3-en-2-yl]oxybut-2-yne.

Molecular Properties

Compound Name1-[(2R)-but-3-en-2-yl]oxybut-2-yne
PubChem CID101459031
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name1-[(2R)-but-3-en-2-yl]oxybut-2-yne
SMILESC=C[C@@H](C)OCC#CC
InChIInChI=1S/C8H12O/c1-4-6-7-9-8(3)5-2/h5,8H,2,7H2,1,3H3/t8-/m1/s1
InChIKeyZASZDQCISJEADO-MRVPVSSYSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-but-3-en-2-yl]oxybut-2-yne?
The IUPAC name of 1-[(2R)-but-3-en-2-yl]oxybut-2-yne (CID 101459031) is 1-[(2R)-but-3-en-2-yl]oxybut-2-yne.
What is the SMILES notation for 1-[(2R)-but-3-en-2-yl]oxybut-2-yne?
The canonical SMILES for 1-[(2R)-but-3-en-2-yl]oxybut-2-yne is C=C[C@@H](C)OCC#CC.
What is the InChIKey of 1-[(2R)-but-3-en-2-yl]oxybut-2-yne?
The InChIKey is ZASZDQCISJEADO-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12O/c1-4-6-7-9-8(3)5-2/h5,8H,2,7H2,1,3H3/t8-/m1/s1.
What are the key properties of 1-[(2R)-but-3-en-2-yl]oxybut-2-yne?
1-[(2R)-but-3-en-2-yl]oxybut-2-yne has a molecular weight of 124.18 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-but-3-en-2-yl]oxybut-2-yne is sourced from PubChem (CID 101459031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).