magnesium;2-hexylbenzoic acid;hydride

C13H20MgO2 — CID 173426888

IUPACmagnesium;2-hexylbenzoic acid;hydride
SMILESCCCCCCc1ccccc1C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C13H18O2.Mg.2H/c1-2-3-4-5-8-11-9-6-7-10-12(11)13(14)15;;;/h6-7,9-10H,2-5,8H2,1H3,(H,14,15);;;/q;+2;2*-1
InChIKeyUMULGEXZOUYOML-UHFFFAOYSA-N
MW232.61 g/mol
LogP3.35
Rot. Bonds6

About magnesium;2-hexylbenzoic acid;hydride

magnesium;2-hexylbenzoic acid;hydride (PubChem CID 173426888) has the molecular formula C13H20MgO2 and a molecular weight of 232.61 g/mol. Its IUPAC name is magnesium;2-hexylbenzoic acid;hydride.

Molecular Properties

Compound Namemagnesium;2-hexylbenzoic acid;hydride
PubChem CID173426888
Molecular FormulaC13H20MgO2
Molecular Weight232.61 g/mol
Exact Mass232.13
IUPAC Namemagnesium;2-hexylbenzoic acid;hydride
SMILESCCCCCCc1ccccc1C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C13H18O2.Mg.2H/c1-2-3-4-5-8-11-9-6-7-10-12(11)13(14)15;;;/h6-7,9-10H,2-5,8H2,1H3,(H,14,15);;;/q;+2;2*-1
InChIKeyUMULGEXZOUYOML-UHFFFAOYSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.61
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 70171834
CID 159889030
CID 159889030
azane;2-butylbenzoic acid
CID 174819524
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CID 174772828
magnesium bis(2-hexylbenzoate)
CID 70520345
carbonic acid;1,2-dihexylbenzene
CID 174444225
carbonic acid;1,2-dioctylbenzene
CID 174715227
3-dodecylphthalic acid
CID 19855185
phenyl-(2-tridecylphenyl)methanone
CID 159151783
3-tetradecylphthalic acid
CID 22912670
3-heptyl-2-hydroxybenzoic acid
CID 67845198
2-amino-3-decylbenzoic acid
CID 118902812

Frequently Asked Questions

What is the IUPAC name of magnesium;2-hexylbenzoic acid;hydride?
The IUPAC name of magnesium;2-hexylbenzoic acid;hydride (CID 173426888) is magnesium;2-hexylbenzoic acid;hydride.
What is the SMILES notation for magnesium;2-hexylbenzoic acid;hydride?
The canonical SMILES for magnesium;2-hexylbenzoic acid;hydride is CCCCCCc1ccccc1C(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2-hexylbenzoic acid;hydride?
The InChIKey is UMULGEXZOUYOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2.Mg.2H/c1-2-3-4-5-8-11-9-6-7-10-12(11)13(14)15;;;/h6-7,9-10H,2-5,8H2,1H3,(H,14,15);;;/q;+2;2*-1.
What are the key properties of magnesium;2-hexylbenzoic acid;hydride?
magnesium;2-hexylbenzoic acid;hydride has a molecular weight of 232.61 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-hexylbenzoic acid;hydride is sourced from PubChem (CID 173426888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).