but-3-yn-2-ol;3-methylpent-1-en-4-yn-3-ol

C10H14O2 — CID 175422955

IUPACbut-3-yn-2-ol;3-methylpent-1-en-4-yn-3-ol
SMILESC#CC(C)(O)C=C.C#CC(C)O
InChIInChI=1S/C6H8O.C4H6O/c1-4-6(3,7)5-2;1-3-4(2)5/h1,5,7H,2H2,3H3;1,4-5H,2H3
InChIKeyGVHJBHCGHOKMHE-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.56
Rot. Bonds1

About but-3-yn-2-ol;3-methylpent-1-en-4-yn-3-ol

but-3-yn-2-ol;3-methylpent-1-en-4-yn-3-ol (PubChem CID 175422955) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is but-3-yn-2-ol;3-methylpent-1-en-4-yn-3-ol.

Molecular Properties

Compound Namebut-3-yn-2-ol;3-methylpent-1-en-4-yn-3-ol
PubChem CID175422955
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Namebut-3-yn-2-ol;3-methylpent-1-en-4-yn-3-ol
SMILESC#CC(C)(O)C=C.C#CC(C)O
InChIInChI=1S/C6H8O.C4H6O/c1-4-6(3,7)5-2;1-3-4(2)5/h1,5,7H,2H2,3H3;1,4-5H,2H3
InChIKeyGVHJBHCGHOKMHE-UHFFFAOYSA-N
XLogP0.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 but-3-yn-2-ol;3-methylpent-1-en-4-yn-3-ol?
The IUPAC name of but-3-yn-2-ol;3-methylpent-1-en-4-yn-3-ol (CID 175422955) is but-3-yn-2-ol;3-methylpent-1-en-4-yn-3-ol.
What is the SMILES notation for but-3-yn-2-ol;3-methylpent-1-en-4-yn-3-ol?
The canonical SMILES for but-3-yn-2-ol;3-methylpent-1-en-4-yn-3-ol is C#CC(C)(O)C=C.C#CC(C)O.
What is the InChIKey of but-3-yn-2-ol;3-methylpent-1-en-4-yn-3-ol?
The InChIKey is GVHJBHCGHOKMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O.C4H6O/c1-4-6(3,7)5-2;1-3-4(2)5/h1,5,7H,2H2,3H3;1,4-5H,2H3.
What are the key properties of but-3-yn-2-ol;3-methylpent-1-en-4-yn-3-ol?
but-3-yn-2-ol;3-methylpent-1-en-4-yn-3-ol has a molecular weight of 166.22 g/mol, XLogP of 0.56, 1 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;3-methylpent-1-en-4-yn-3-ol is sourced from PubChem (CID 175422955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).