magnesium butan-1-ol

C4H9MgO+ — CID 173375874

IUPACmagnesium butan-1-ol
SMILES[CH2-]CCCO.[Mg+2]
InChIInChI=1S/C4H9O.Mg/c1-2-3-4-5;/h5H,1-4H2;/q-1;+2
InChIKeyUZZKLLMUMGPRDG-UHFFFAOYSA-N
MW97.42 g/mol
LogP0.21
Rot. Bonds2

About magnesium butan-1-ol

magnesium butan-1-ol (PubChem CID 173375874) has the molecular formula C4H9MgO+ and a molecular weight of 97.42 g/mol. Its IUPAC name is magnesium butan-1-ol.

Molecular Properties

Compound Namemagnesium butan-1-ol
PubChem CID173375874
Molecular FormulaC4H9MgO+
Molecular Weight97.42 g/mol
Exact Mass97.05
IUPAC Namemagnesium butan-1-ol
SMILES[CH2-]CCCO.[Mg+2]
InChIInChI=1S/C4H9O.Mg/c1-2-3-4-5;/h5H,1-4H2;/q-1;+2
InChIKeyUZZKLLMUMGPRDG-UHFFFAOYSA-N
XLogP0.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.42
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butan-1-ol;zirconium
CID 87328506
butan-1-ol;yttrium
CID 59344107
butan-1-ol;chromium
CID 175771419
gold(1+);tetradecan-1-ol;tetratriacontane-1,34-diol
CID 129032332
butane;butane-1,4-diol;oxotitanium
CID 87099019
butan-1-ol;hexane;samarium
CID 139987504
dimagnesium;hexane;dibromide
CID 10334549
zinc;ethane;hexane;pentan-1-ol
CID 174766850
dimagnesium;dodecane;dibromide
CID 11760597
benzene;butane-1,4-diol
CID 141209769
bis(octan-1-ol);oxotitanium(2+);bis(tetradecane)
CID 87176299
azane;octakis(butane-1,4-diol)
CID 173377605

Frequently Asked Questions

What is the IUPAC name of magnesium butan-1-ol?
The IUPAC name of magnesium butan-1-ol (CID 173375874) is magnesium butan-1-ol.
What is the SMILES notation for magnesium butan-1-ol?
The canonical SMILES for magnesium butan-1-ol is [CH2-]CCCO.[Mg+2].
What is the InChIKey of magnesium butan-1-ol?
The InChIKey is UZZKLLMUMGPRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.Mg/c1-2-3-4-5;/h5H,1-4H2;/q-1;+2.
What are the key properties of magnesium butan-1-ol?
magnesium butan-1-ol has a molecular weight of 97.42 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium butan-1-ol is sourced from PubChem (CID 173375874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).