magnesium;butan-1-olate;chloride

C4H9ClMgO — CID 6101689

IUPACmagnesium;butan-1-olate;chloride
SMILESCCCC[O-].[Cl-].[Mg+2]
InChIInChI=1S/C4H9O.ClH.Mg/c1-2-3-4-5;;/h2-4H2,1H3;1H;/q-1;;+2/p-1
InChIKeyBSGVJBRWDNPHOR-UHFFFAOYSA-M
MW132.87 g/mol
LogP-3.23
Rot. Bonds2

About magnesium;butan-1-olate;chloride

magnesium;butan-1-olate;chloride (PubChem CID 6101689) has the molecular formula C4H9ClMgO and a molecular weight of 132.87 g/mol. Its IUPAC name is magnesium;butan-1-olate;chloride.

Molecular Properties

Compound Namemagnesium;butan-1-olate;chloride
PubChem CID6101689
Molecular FormulaC4H9ClMgO
Molecular Weight132.87 g/mol
Exact Mass132.02
IUPAC Namemagnesium;butan-1-olate;chloride
SMILESCCCC[O-].[Cl-].[Mg+2]
InChIInChI=1S/C4H9O.ClH.Mg/c1-2-3-4-5;;/h2-4H2,1H3;1H;/q-1;;+2/p-1
InChIKeyBSGVJBRWDNPHOR-UHFFFAOYSA-M
XLogP-3.23
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.87
LogP ≤ 5-3.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

n-Butoxy radical
CID 140467
Butyl hypochlorite
CID 13752033
Magnesium, chloro(4-methoxybutyl)-
CID 11679839
Butan-1-olate
CID 12476378
Magnesium chloride 3-methoxypropan-1-ide (1/1/1)
CID 13313844
n-Butylchlorate
CID 129728781
Dimagnesium;butan-1-olate;bromide;chloride
CID 134887306
Dimagnesium;butan-1-olate;dichloride
CID 135042414
Magnesium;butan-1-olate;chloride
CID 104483
Chloro(pentyloxy)magnesium
CID 113484
Chloro(3-methylbutan-1-olato)magnesium
CID 113485
Magnesium;pentan-1-olate;chloride
CID 57357122

Frequently Asked Questions

What is the IUPAC name of magnesium;butan-1-olate;chloride?
The IUPAC name of magnesium;butan-1-olate;chloride (CID 6101689) is magnesium;butan-1-olate;chloride.
What is the SMILES notation for magnesium;butan-1-olate;chloride?
The canonical SMILES for magnesium;butan-1-olate;chloride is CCCC[O-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;butan-1-olate;chloride?
The InChIKey is BSGVJBRWDNPHOR-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9O.ClH.Mg/c1-2-3-4-5;;/h2-4H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;butan-1-olate;chloride?
magnesium;butan-1-olate;chloride has a molecular weight of 132.87 g/mol, XLogP of -3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;butan-1-olate;chloride is sourced from PubChem (CID 6101689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).