sodium;hydride;tri(butan-2-yl)borane;hydrate

C12H30BNaO — CID 173077371

IUPACsodium;hydride;tri(butan-2-yl)borane;hydrate
SMILESCCC(C)B(C(C)CC)C(C)CC.O.[H-].[Na+]
InChIInChI=1S/C12H27B.Na.H2O.H/c1-7-10(4)13(11(5)8-2)12(6)9-3;;;/h10-12H,7-9H2,1-6H3;;1H2;/q;+1;;-1
InChIKeyFVHNOMIGURYXQW-UHFFFAOYSA-N
MW224.17 g/mol
LogP1.17
Rot. Bonds6

About sodium;hydride;tri(butan-2-yl)borane;hydrate

sodium;hydride;tri(butan-2-yl)borane;hydrate (PubChem CID 173077371) has the molecular formula C12H30BNaO and a molecular weight of 224.17 g/mol. Its IUPAC name is sodium;hydride;tri(butan-2-yl)borane;hydrate.

Molecular Properties

Compound Namesodium;hydride;tri(butan-2-yl)borane;hydrate
PubChem CID173077371
Molecular FormulaC12H30BNaO
Molecular Weight224.17 g/mol
Exact Mass224.23
IUPAC Namesodium;hydride;tri(butan-2-yl)borane;hydrate
SMILESCCC(C)B(C(C)CC)C(C)CC.O.[H-].[Na+]
InChIInChI=1S/C12H27B.Na.H2O.H/c1-7-10(4)13(11(5)8-2)12(6)9-3;;;/h10-12H,7-9H2,1-6H3;;1H2;/q;+1;;-1
InChIKeyFVHNOMIGURYXQW-UHFFFAOYSA-N
XLogP1.17
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;tri(butan-2-yl)borane
CID 173217286
lithium;di(butan-2-yl)-methylborane;hydride
CID 173450477
[(2S)-butan-2-yl]-dichloroborane
CID 14814926
butan-2-yl(methyl)borinic acid
CID 158657908
barium(2+);butan-2-ol;hydride;hydrate
CID 174746471
3-methylpentane;hydrate
CID 144914279
tris(2-methylpentan-3-yl)borane
CID 134896969
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
sodium 3-methanidylpentane
CID 154114323
butan-2-amine;(2R)-butan-2-amine;methane
CID 160926504
sodium 2-methylbutanenitrile
CID 23346888

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;tri(butan-2-yl)borane;hydrate?
The IUPAC name of sodium;hydride;tri(butan-2-yl)borane;hydrate (CID 173077371) is sodium;hydride;tri(butan-2-yl)borane;hydrate.
What is the SMILES notation for sodium;hydride;tri(butan-2-yl)borane;hydrate?
The canonical SMILES for sodium;hydride;tri(butan-2-yl)borane;hydrate is CCC(C)B(C(C)CC)C(C)CC.O.[H-].[Na+].
What is the InChIKey of sodium;hydride;tri(butan-2-yl)borane;hydrate?
The InChIKey is FVHNOMIGURYXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27B.Na.H2O.H/c1-7-10(4)13(11(5)8-2)12(6)9-3;;;/h10-12H,7-9H2,1-6H3;;1H2;/q;+1;;-1.
What are the key properties of sodium;hydride;tri(butan-2-yl)borane;hydrate?
sodium;hydride;tri(butan-2-yl)borane;hydrate has a molecular weight of 224.17 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;tri(butan-2-yl)borane;hydrate is sourced from PubChem (CID 173077371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).