magnesium bis(butan-1-olate)

C8H18MgO2 — CID 10888352

IUPACmagnesium bis(butan-1-olate)
SMILESCCCC[O-].CCCC[O-].[Mg+2]
InChIInChI=1S/2C4H9O.Mg/c2*1-2-3-4-5;/h2*2-4H2,1H3;/q2*-1;+2
InChIKeyHFTSQAKJLBPKBD-UHFFFAOYSA-N
MW170.53 g/mol
LogP-0.09
Rot. Bonds4

About magnesium bis(butan-1-olate)

magnesium bis(butan-1-olate) (PubChem CID 10888352) has the molecular formula C8H18MgO2 and a molecular weight of 170.53 g/mol. Its IUPAC name is magnesium bis(butan-1-olate).

Molecular Properties

Compound Namemagnesium bis(butan-1-olate)
PubChem CID10888352
Molecular FormulaC8H18MgO2
Molecular Weight170.53 g/mol
Exact Mass170.12
IUPAC Namemagnesium bis(butan-1-olate)
SMILESCCCC[O-].CCCC[O-].[Mg+2]
InChIInChI=1S/2C4H9O.Mg/c2*1-2-3-4-5;/h2*2-4H2,1H3;/q2*-1;+2
InChIKeyHFTSQAKJLBPKBD-UHFFFAOYSA-N
XLogP-0.09
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.53
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Aluminum butylate
CID 6451513
Tributyl borate
CID 12712
Dibutyl peroxide
CID 77458
Butyl sulfite
CID 69384
1-(Butoxydisulfanyl)oxybutane
CID 14251686
1-Butanol, antimony(3+) salt (3:1)
CID 102217
Aluminum tributoxide, 95%
CID 16684880
Lead dibutanolate
CID 6455035
Antimony(III) propoxide
CID 16685265
1-Butanol, magnesium salt (2:1)
CID 167494
Antimony(III)butoxide
CID 16693615
Tributyl borate-10B
CID 16212785

Frequently Asked Questions

What is the IUPAC name of magnesium bis(butan-1-olate)?
The IUPAC name of magnesium bis(butan-1-olate) (CID 10888352) is magnesium bis(butan-1-olate).
What is the SMILES notation for magnesium bis(butan-1-olate)?
The canonical SMILES for magnesium bis(butan-1-olate) is CCCC[O-].CCCC[O-].[Mg+2].
What is the InChIKey of magnesium bis(butan-1-olate)?
The InChIKey is HFTSQAKJLBPKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9O.Mg/c2*1-2-3-4-5;/h2*2-4H2,1H3;/q2*-1;+2.
What are the key properties of magnesium bis(butan-1-olate)?
magnesium bis(butan-1-olate) has a molecular weight of 170.53 g/mol, XLogP of -0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(butan-1-olate) is sourced from PubChem (CID 10888352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).