but-1-yne;oxolane

C8H14O — CID 175164461

IUPACbut-1-yne;oxolane
SMILESC#CCC.C1CCOC1
InChIInChI=1S/C4H8O.C4H6/c1-2-4-5-3-1;1-3-4-2/h1-4H2;1H,4H2,2H3
InChIKeyZSVAZVCFNOCLID-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.83
Rot. Bonds

About but-1-yne;oxolane

but-1-yne;oxolane (PubChem CID 175164461) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is but-1-yne;oxolane.

Molecular Properties

Compound Namebut-1-yne;oxolane
PubChem CID175164461
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Namebut-1-yne;oxolane
SMILESC#CCC.C1CCOC1
InChIInChI=1S/C4H8O.C4H6/c1-2-4-5-3-1;1-3-4-2/h1-4H2;1H,4H2,2H3
InChIKeyZSVAZVCFNOCLID-UHFFFAOYSA-N
XLogP1.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-1-yne;oxolane?
The IUPAC name of but-1-yne;oxolane (CID 175164461) is but-1-yne;oxolane.
What is the SMILES notation for but-1-yne;oxolane?
The canonical SMILES for but-1-yne;oxolane is C#CCC.C1CCOC1.
What is the InChIKey of but-1-yne;oxolane?
The InChIKey is ZSVAZVCFNOCLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C4H6/c1-2-4-5-3-1;1-3-4-2/h1-4H2;1H,4H2,2H3.
What are the key properties of but-1-yne;oxolane?
but-1-yne;oxolane has a molecular weight of 126.20 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-yne;oxolane is sourced from PubChem (CID 175164461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).