potassium;hydride;tripropan-2-yl borate

C9H22BKO3 — CID 12973545

IUPACpotassium;hydride;tripropan-2-yl borate
SMILESCC(C)OB(OC(C)C)OC(C)C.[H-].[K+]
InChIInChI=1S/C9H21BO3.K.H/c1-7(2)11-10(12-8(3)4)13-9(5)6;;/h7-9H,1-6H3;;/q;+1;-1
InChIKeySIOOIXLJCFOFOO-UHFFFAOYSA-N
MW228.18 g/mol
LogP-0.64
Rot. Bonds6

About potassium;hydride;tripropan-2-yl borate

potassium;hydride;tripropan-2-yl borate (PubChem CID 12973545) has the molecular formula C9H22BKO3 and a molecular weight of 228.18 g/mol. Its IUPAC name is potassium;hydride;tripropan-2-yl borate.

Molecular Properties

Compound Namepotassium;hydride;tripropan-2-yl borate
PubChem CID12973545
Molecular FormulaC9H22BKO3
Molecular Weight228.18 g/mol
Exact Mass228.13
IUPAC Namepotassium;hydride;tripropan-2-yl borate
SMILESCC(C)OB(OC(C)C)OC(C)C.[H-].[K+]
InChIInChI=1S/C9H21BO3.K.H/c1-7(2)11-10(12-8(3)4)13-9(5)6;;/h7-9H,1-6H3;;/q;+1;-1
InChIKeySIOOIXLJCFOFOO-UHFFFAOYSA-N
XLogP-0.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Triisopropyl borate
CID 21531
Boric acid (H3BO3), tripropyl ester
CID 12711
Tris(1-methylpropyl) borate
CID 31077
Diisopropoxymethylborane
CID 3392711
Potassium hydro(triisopropoxy)borate
CID 23684572
Bis(propan-2-yl) butylboronate
CID 3775344
Sodium tetraisopropoxyborate
CID 415841
Boronic acid, (1-methylpropyl)-, bis(1-methylethyl) ester
CID 13183021
Diisopropoxyborane
CID 22714868
Sodium triisopropoxyborohydride
CID 23715007
Triisopropoxy borate
CID 53683132
Diisopropyl methylborate
CID 53730172

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;tripropan-2-yl borate?
The IUPAC name of potassium;hydride;tripropan-2-yl borate (CID 12973545) is potassium;hydride;tripropan-2-yl borate.
What is the SMILES notation for potassium;hydride;tripropan-2-yl borate?
The canonical SMILES for potassium;hydride;tripropan-2-yl borate is CC(C)OB(OC(C)C)OC(C)C.[H-].[K+].
What is the InChIKey of potassium;hydride;tripropan-2-yl borate?
The InChIKey is SIOOIXLJCFOFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BO3.K.H/c1-7(2)11-10(12-8(3)4)13-9(5)6;;/h7-9H,1-6H3;;/q;+1;-1.
What are the key properties of potassium;hydride;tripropan-2-yl borate?
potassium;hydride;tripropan-2-yl borate has a molecular weight of 228.18 g/mol, XLogP of -0.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;tripropan-2-yl borate is sourced from PubChem (CID 12973545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).