CID 159482999

C6H16BKOY- — CID 159482999

IUPAC—
SMILESC.C[CH-]C(C)O.[B].[CH3-].[K+].[Y]
InChIInChI=1S/C4H9O.CH4.CH3.B.K.Y/c1-3-4(2)5;;;;;/h3-5H,1-2H3;1H4;1H3;;;/q-1;;-1;;+1;
InChIKeyONCVVSLZGQXQMO-UHFFFAOYSA-N
MW243.01 g/mol
LogP-1.70
Rot. Bonds1

About CID 159482999

CID 159482999 (PubChem CID 159482999) has the molecular formula C6H16BKOY- and a molecular weight of 243.01 g/mol.

Molecular Properties

Compound NameCID 159482999
PubChem CID159482999
Molecular FormulaC6H16BKOY-
Molecular Weight243.01 g/mol
Exact Mass243.00
IUPAC Name—
SMILESC.C[CH-]C(C)O.[B].[CH3-].[K+].[Y]
InChIInChI=1S/C4H9O.CH4.CH3.B.K.Y/c1-3-4(2)5;;;;;/h3-5H,1-2H3;1H4;1H3;;;/q-1;;-1;;+1;
InChIKeyONCVVSLZGQXQMO-UHFFFAOYSA-N
XLogP-1.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.01
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methane;2-methylpropane;propane;yttrium
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carbanide;methane;2-methylpropane;tris(yttrium)
CID 160679294
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CID 87058095
bis(propan-2-ol);titanium(2+);titanium(4+);dichloride
CID 172699127
propan-2-ol;yttrium
CID 59895295
2-methylbutane;zinc
CID 174944394
2,3-dihydroxybutanoic acid;methane;yttrium
CID 159544972
carbanide;formaldehyde;methane;methanol;propan-2-ol;hydrate
CID 159793632

Frequently Asked Questions

What is the IUPAC name of CID 159482999?
The IUPAC name of CID 159482999 (CID 159482999) is not available.
What is the SMILES notation for CID 159482999?
The canonical SMILES for CID 159482999 is C.C[CH-]C(C)O.[B].[CH3-].[K+].[Y].
What is the InChIKey of CID 159482999?
The InChIKey is ONCVVSLZGQXQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.CH4.CH3.B.K.Y/c1-3-4(2)5;;;;;/h3-5H,1-2H3;1H4;1H3;;;/q-1;;-1;;+1;.
What are the key properties of CID 159482999?
CID 159482999 has a molecular weight of 243.01 g/mol, XLogP of -1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159482999 is sourced from PubChem (CID 159482999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).