but-3-yn-2-ol;propan-2-ol

C7H14O2 — CID 159855235

IUPACbut-3-yn-2-ol;propan-2-ol
SMILESC#CC(C)O.CC(C)O
InChIInChI=1S/C4H6O.C3H8O/c1-3-4(2)5;1-3(2)4/h1,4-5H,2H3;3-4H,1-2H3
InChIKeyNQLCUGWATMRKIV-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.39
Rot. Bonds

About but-3-yn-2-ol;propan-2-ol

but-3-yn-2-ol;propan-2-ol (PubChem CID 159855235) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is but-3-yn-2-ol;propan-2-ol.

Molecular Properties

Compound Namebut-3-yn-2-ol;propan-2-ol
PubChem CID159855235
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Namebut-3-yn-2-ol;propan-2-ol
SMILESC#CC(C)O.CC(C)O
InChIInChI=1S/C4H6O.C3H8O/c1-3-4(2)5;1-3(2)4/h1,4-5H,2H3;3-4H,1-2H3
InChIKeyNQLCUGWATMRKIV-UHFFFAOYSA-N
XLogP0.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-3-yn-2-ol;propan-2-ol?
The IUPAC name of but-3-yn-2-ol;propan-2-ol (CID 159855235) is but-3-yn-2-ol;propan-2-ol.
What is the SMILES notation for but-3-yn-2-ol;propan-2-ol?
The canonical SMILES for but-3-yn-2-ol;propan-2-ol is C#CC(C)O.CC(C)O.
What is the InChIKey of but-3-yn-2-ol;propan-2-ol?
The InChIKey is NQLCUGWATMRKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O.C3H8O/c1-3-4(2)5;1-3(2)4/h1,4-5H,2H3;3-4H,1-2H3.
What are the key properties of but-3-yn-2-ol;propan-2-ol?
but-3-yn-2-ol;propan-2-ol has a molecular weight of 130.19 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-yn-2-ol;propan-2-ol is sourced from PubChem (CID 159855235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).