potassium;3,3-dimethylhex-1-yn-1-ol;hydroxide

C8H15KO2 — CID 172696283

IUPACpotassium;3,3-dimethylhex-1-yn-1-ol;hydroxide
SMILESCCCC(C)(C)C#CO.[K+].[OH-]
InChIInChI=1S/C8H14O.K.H2O/c1-4-5-8(2,3)6-7-9;;/h9H,4-5H2,1-3H3;;1H2/q;+1;/p-1
InChIKeyCIZYTJBIXVBMQH-UHFFFAOYSA-M
MW182.30 g/mol
LogP-1.03
Rot. Bonds2

About potassium;3,3-dimethylhex-1-yn-1-ol;hydroxide

potassium;3,3-dimethylhex-1-yn-1-ol;hydroxide (PubChem CID 172696283) has the molecular formula C8H15KO2 and a molecular weight of 182.30 g/mol. Its IUPAC name is potassium;3,3-dimethylhex-1-yn-1-ol;hydroxide.

Molecular Properties

Compound Namepotassium;3,3-dimethylhex-1-yn-1-ol;hydroxide
PubChem CID172696283
Molecular FormulaC8H15KO2
Molecular Weight182.30 g/mol
Exact Mass182.07
IUPAC Namepotassium;3,3-dimethylhex-1-yn-1-ol;hydroxide
SMILESCCCC(C)(C)C#CO.[K+].[OH-]
InChIInChI=1S/C8H14O.K.H2O/c1-4-5-8(2,3)6-7-9;;/h9H,4-5H2,1-3H3;;1H2/q;+1;/p-1
InChIKeyCIZYTJBIXVBMQH-UHFFFAOYSA-M
XLogP-1.03
TPSA50.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.30
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
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 potassium;3,3-dimethylhex-1-yn-1-ol;hydroxide?
The IUPAC name of potassium;3,3-dimethylhex-1-yn-1-ol;hydroxide (CID 172696283) is potassium;3,3-dimethylhex-1-yn-1-ol;hydroxide.
What is the SMILES notation for potassium;3,3-dimethylhex-1-yn-1-ol;hydroxide?
The canonical SMILES for potassium;3,3-dimethylhex-1-yn-1-ol;hydroxide is CCCC(C)(C)C#CO.[K+].[OH-].
What is the InChIKey of potassium;3,3-dimethylhex-1-yn-1-ol;hydroxide?
The InChIKey is CIZYTJBIXVBMQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14O.K.H2O/c1-4-5-8(2,3)6-7-9;;/h9H,4-5H2,1-3H3;;1H2/q;+1;/p-1.
What are the key properties of potassium;3,3-dimethylhex-1-yn-1-ol;hydroxide?
potassium;3,3-dimethylhex-1-yn-1-ol;hydroxide has a molecular weight of 182.30 g/mol, XLogP of -1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3,3-dimethylhex-1-yn-1-ol;hydroxide is sourced from PubChem (CID 172696283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).