but-1-yn-1-ol;hydrochloride

C4H7ClO — CID 71773502

IUPACbut-1-yn-1-ol;hydrochloride
SMILESCCC#CO.Cl
InChIInChI=1S/C4H6O.ClH/c1-2-3-4-5;/h5H,2H2,1H3;1H
InChIKeyJBMLASPBJIUUMM-UHFFFAOYSA-N
MW106.55 g/mol
LogP1.15
Rot. Bonds

About but-1-yn-1-ol;hydrochloride

but-1-yn-1-ol;hydrochloride (PubChem CID 71773502) has the molecular formula C4H7ClO and a molecular weight of 106.55 g/mol. Its IUPAC name is but-1-yn-1-ol;hydrochloride.

Molecular Properties

Compound Namebut-1-yn-1-ol;hydrochloride
PubChem CID71773502
Molecular FormulaC4H7ClO
Molecular Weight106.55 g/mol
Exact Mass106.02
IUPAC Namebut-1-yn-1-ol;hydrochloride
SMILESCCC#CO.Cl
InChIInChI=1S/C4H6O.ClH/c1-2-3-4-5;/h5H,2H2,1H3;1H
InChIKeyJBMLASPBJIUUMM-UHFFFAOYSA-N
XLogP1.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.55
LogP ≤ 51.15
H-Bond Donors ≤ 51
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-yn-1-ol;hydrochloride?
The IUPAC name of but-1-yn-1-ol;hydrochloride (CID 71773502) is but-1-yn-1-ol;hydrochloride.
What is the SMILES notation for but-1-yn-1-ol;hydrochloride?
The canonical SMILES for but-1-yn-1-ol;hydrochloride is CCC#CO.Cl.
What is the InChIKey of but-1-yn-1-ol;hydrochloride?
The InChIKey is JBMLASPBJIUUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.ClH/c1-2-3-4-5;/h5H,2H2,1H3;1H.
What are the key properties of but-1-yn-1-ol;hydrochloride?
but-1-yn-1-ol;hydrochloride has a molecular weight of 106.55 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-yn-1-ol;hydrochloride is sourced from PubChem (CID 71773502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).