magnesium bis(2-ethylheptan-1-olate)

C18H38MgO2 — CID 141251030

IUPACmagnesium bis(2-ethylheptan-1-olate)
SMILESCCCCCC(CC)C[O-].CCCCCC(CC)C[O-].[Mg+2]
InChIInChI=1S/2C9H19O.Mg/c2*1-3-5-6-7-9(4-2)8-10;/h2*9H,3-8H2,1-2H3;/q2*-1;+2
InChIKeySKAZCSLLCXZRHB-UHFFFAOYSA-N
MW310.80 g/mol
LogP3.53
Rot. Bonds12

About magnesium bis(2-ethylheptan-1-olate)

magnesium bis(2-ethylheptan-1-olate) (PubChem CID 141251030) has the molecular formula C18H38MgO2 and a molecular weight of 310.80 g/mol. Its IUPAC name is magnesium bis(2-ethylheptan-1-olate).

Molecular Properties

Compound Namemagnesium bis(2-ethylheptan-1-olate)
PubChem CID141251030
Molecular FormulaC18H38MgO2
Molecular Weight310.80 g/mol
Exact Mass310.27
IUPAC Namemagnesium bis(2-ethylheptan-1-olate)
SMILESCCCCCC(CC)C[O-].CCCCCC(CC)C[O-].[Mg+2]
InChIInChI=1S/2C9H19O.Mg/c2*1-3-5-6-7-9(4-2)8-10;/h2*9H,3-8H2,1-2H3;/q2*-1;+2
InChIKeySKAZCSLLCXZRHB-UHFFFAOYSA-N
XLogP3.53
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyloctane;propane
CID 143682929
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
9-ethyl-7-pentylhexadecane
CID 91283125
9-ethyl-11-heptylnonadecane
CID 90975246
ethane;3-ethylundecane
CID 144815521
3,6-diethylundecane
CID 22051817
7-ethyltridecane;methane
CID 158982306

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-ethylheptan-1-olate)?
The IUPAC name of magnesium bis(2-ethylheptan-1-olate) (CID 141251030) is magnesium bis(2-ethylheptan-1-olate).
What is the SMILES notation for magnesium bis(2-ethylheptan-1-olate)?
The canonical SMILES for magnesium bis(2-ethylheptan-1-olate) is CCCCCC(CC)C[O-].CCCCCC(CC)C[O-].[Mg+2].
What is the InChIKey of magnesium bis(2-ethylheptan-1-olate)?
The InChIKey is SKAZCSLLCXZRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19O.Mg/c2*1-3-5-6-7-9(4-2)8-10;/h2*9H,3-8H2,1-2H3;/q2*-1;+2.
What are the key properties of magnesium bis(2-ethylheptan-1-olate)?
magnesium bis(2-ethylheptan-1-olate) has a molecular weight of 310.80 g/mol, XLogP of 3.53, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-ethylheptan-1-olate) is sourced from PubChem (CID 141251030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).