potassium;2-methylpropane;(4S)-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-3,4,5,6-tetrahydro-2H-pyran-5-ide

C16H32KO2- — CID 159873953

IUPACpotassium;2-methylpropane;(4S)-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-3,4,5,6-tetrahydro-2H-pyran-5-ide
SMILESCC1[CH-][C@H](C)C(C)C(OC(C)(C)C)O1.C[C-](C)C.[K+]
InChIInChI=1S/C12H23O2.C4H9.K/c1-8-7-9(2)13-11(10(8)3)14-12(4,5)6;1-4(2)3;/h7-11H,1-6H3;1-3H3;/q2*-1;+1/t8-,9?,10?,11?;;/m0../s1
InChIKeyHOKZWCBSFFABJP-VQPQTNRTSA-N
MW295.53 g/mol
LogP1.65
Rot. Bonds1

About potassium;2-methylpropane;(4S)-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-3,4,5,6-tetrahydro-2H-pyran-5-ide

potassium;2-methylpropane;(4S)-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-3,4,5,6-tetrahydro-2H-pyran-5-ide (PubChem CID 159873953) has the molecular formula C16H32KO2- and a molecular weight of 295.53 g/mol. Its IUPAC name is potassium;2-methylpropane;(4S)-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-3,4,5,6-tetrahydro-2H-pyran-5-ide.

Molecular Properties

Compound Namepotassium;2-methylpropane;(4S)-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-3,4,5,6-tetrahydro-2H-pyran-5-ide
PubChem CID159873953
Molecular FormulaC16H32KO2-
Molecular Weight295.53 g/mol
Exact Mass295.20
IUPAC Namepotassium;2-methylpropane;(4S)-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-3,4,5,6-tetrahydro-2H-pyran-5-ide
SMILESCC1[CH-][C@H](C)C(C)C(OC(C)(C)C)O1.C[C-](C)C.[K+]
InChIInChI=1S/C12H23O2.C4H9.K/c1-8-7-9(2)13-11(10(8)3)14-12(4,5)6;1-4(2)3;/h7-11H,1-6H3;1-3H3;/q2*-1;+1/t8-,9?,10?,11?;;/m0../s1
InChIKeyHOKZWCBSFFABJP-VQPQTNRTSA-N
XLogP1.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.53
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;2-methylpropane;(4S)-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-3,4,5,6-tetrahydro-2H-pyran-5-ide?
The IUPAC name of potassium;2-methylpropane;(4S)-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-3,4,5,6-tetrahydro-2H-pyran-5-ide (CID 159873953) is potassium;2-methylpropane;(4S)-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-3,4,5,6-tetrahydro-2H-pyran-5-ide.
What is the SMILES notation for potassium;2-methylpropane;(4S)-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-3,4,5,6-tetrahydro-2H-pyran-5-ide?
The canonical SMILES for potassium;2-methylpropane;(4S)-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-3,4,5,6-tetrahydro-2H-pyran-5-ide is CC1[CH-][C@H](C)C(C)C(OC(C)(C)C)O1.C[C-](C)C.[K+].
What is the InChIKey of potassium;2-methylpropane;(4S)-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-3,4,5,6-tetrahydro-2H-pyran-5-ide?
The InChIKey is HOKZWCBSFFABJP-VQPQTNRTSA-N. The full InChI is InChI=1S/C12H23O2.C4H9.K/c1-8-7-9(2)13-11(10(8)3)14-12(4,5)6;1-4(2)3;/h7-11H,1-6H3;1-3H3;/q2*-1;+1/t8-,9?,10?,11?;;/m0../s1.
What are the key properties of potassium;2-methylpropane;(4S)-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-3,4,5,6-tetrahydro-2H-pyran-5-ide?
potassium;2-methylpropane;(4S)-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-3,4,5,6-tetrahydro-2H-pyran-5-ide has a molecular weight of 295.53 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-methylpropane;(4S)-3,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-3,4,5,6-tetrahydro-2H-pyran-5-ide is sourced from PubChem (CID 159873953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).