(1R)-1-chlorobut-2-yn-1-ol

C4H5ClO — CID 71772127

IUPAC(1R)-1-chlorobut-2-yn-1-ol
SMILESCC#C[C@H](O)Cl
InChIInChI=1S/C4H5ClO/c1-2-3-4(5)6/h4,6H,1H3/t4-/m0/s1
InChIKeyJJKIKNDCMATXLI-BYPYZUCNSA-N
MW104.54 g/mol
LogP0.57
Rot. Bonds

About (1R)-1-chlorobut-2-yn-1-ol

(1R)-1-chlorobut-2-yn-1-ol (PubChem CID 71772127) has the molecular formula C4H5ClO and a molecular weight of 104.54 g/mol. Its IUPAC name is (1R)-1-chlorobut-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-chlorobut-2-yn-1-ol
PubChem CID71772127
Molecular FormulaC4H5ClO
Molecular Weight104.54 g/mol
Exact Mass104.00
IUPAC Name(1R)-1-chlorobut-2-yn-1-ol
SMILESCC#C[C@H](O)Cl
InChIInChI=1S/C4H5ClO/c1-2-3-4(5)6/h4,6H,1H3/t4-/m0/s1
InChIKeyJJKIKNDCMATXLI-BYPYZUCNSA-N
XLogP0.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.54
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-chlorobut-2-yn-1-ol?
The IUPAC name of (1R)-1-chlorobut-2-yn-1-ol (CID 71772127) is (1R)-1-chlorobut-2-yn-1-ol.
What is the SMILES notation for (1R)-1-chlorobut-2-yn-1-ol?
The canonical SMILES for (1R)-1-chlorobut-2-yn-1-ol is CC#C[C@H](O)Cl.
What is the InChIKey of (1R)-1-chlorobut-2-yn-1-ol?
The InChIKey is JJKIKNDCMATXLI-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H5ClO/c1-2-3-4(5)6/h4,6H,1H3/t4-/m0/s1.
What are the key properties of (1R)-1-chlorobut-2-yn-1-ol?
(1R)-1-chlorobut-2-yn-1-ol has a molecular weight of 104.54 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-chlorobut-2-yn-1-ol is sourced from PubChem (CID 71772127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).