actinium;2-methylbut-3-yn-2-ol

C5H8AcO — CID 22980385

IUPACactinium;2-methylbut-3-yn-2-ol
SMILESC#CC(C)(C)O.[Ac]
InChIInChI=1S/C5H8O.Ac/c1-4-5(2,3)6;/h1,6H,2-3H3;
InChIKeySDZBHTLAEXANMQ-UHFFFAOYSA-N
MW311.12 g/mol
LogP0.39
Rot. Bonds

About actinium;2-methylbut-3-yn-2-ol

actinium;2-methylbut-3-yn-2-ol (PubChem CID 22980385) has the molecular formula C5H8AcO and a molecular weight of 311.12 g/mol. Its IUPAC name is actinium;2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Nameactinium;2-methylbut-3-yn-2-ol
PubChem CID22980385
Molecular FormulaC5H8AcO
Molecular Weight311.12 g/mol
Exact Mass311.09
IUPAC Nameactinium;2-methylbut-3-yn-2-ol
SMILESC#CC(C)(C)O.[Ac]
InChIInChI=1S/C5H8O.Ac/c1-4-5(2,3)6;/h1,6H,2-3H3;
InChIKeySDZBHTLAEXANMQ-UHFFFAOYSA-N
XLogP0.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-methylbut-3-yne-1,1,2-triol
CID 164820641
(3R)-3,4,4-trimethylpent-1-yn-3-ol
CID 6994055
2,5,5,8,8-pentamethyldeca-3,6,9-triyn-2-ol
CID 134106167
2,3-difluoropent-4-yne-2,3-diol
CID 91222968
3,3-dimethylbut-1-yne chloride
CID 131726738
3,4,4-trimethylhex-1-yn-3-ol
CID 18962694
2-methylbut-3-yn-2-ol
CID 21136603
3,4-dimethylhex-5-yne-2,4-diol
CID 130124849
ethane;2-hydroxy-2-methylpropanenitrile
CID 164588960
3,4-dimethylhept-1-yne-3,4-diol
CID 102249500
5-methoxy-3-methylpent-1-yn-3-ol
CID 13304240
N-(2-methylbut-3-yn-2-yl)hydroxylamine;hydrochloride
CID 86154295

Frequently Asked Questions

What is the IUPAC name of actinium;2-methylbut-3-yn-2-ol?
The IUPAC name of actinium;2-methylbut-3-yn-2-ol (CID 22980385) is actinium;2-methylbut-3-yn-2-ol.
What is the SMILES notation for actinium;2-methylbut-3-yn-2-ol?
The canonical SMILES for actinium;2-methylbut-3-yn-2-ol is C#CC(C)(C)O.[Ac].
What is the InChIKey of actinium;2-methylbut-3-yn-2-ol?
The InChIKey is SDZBHTLAEXANMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.Ac/c1-4-5(2,3)6;/h1,6H,2-3H3;.
What are the key properties of actinium;2-methylbut-3-yn-2-ol?
actinium;2-methylbut-3-yn-2-ol has a molecular weight of 311.12 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2-methylbut-3-yn-2-ol is sourced from PubChem (CID 22980385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).