magnesium;hydride;2-methylideneheptanoic acid

C8H16MgO2 — CID 174921756

IUPACmagnesium;hydride;2-methylideneheptanoic acid
SMILESC=C(CCCCC)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C8H14O2.Mg.2H/c1-3-4-5-6-7(2)8(9)10;;;/h2-6H2,1H3,(H,9,10);;;/q;+2;2*-1
InChIKeySQIJGOLDRYUHNZ-UHFFFAOYSA-N
MW168.52 g/mol
LogP2.05
Rot. Bonds5

About magnesium;hydride;2-methylideneheptanoic acid

magnesium;hydride;2-methylideneheptanoic acid (PubChem CID 174921756) has the molecular formula C8H16MgO2 and a molecular weight of 168.52 g/mol. Its IUPAC name is magnesium;hydride;2-methylideneheptanoic acid.

Molecular Properties

Compound Namemagnesium;hydride;2-methylideneheptanoic acid
PubChem CID174921756
Molecular FormulaC8H16MgO2
Molecular Weight168.52 g/mol
Exact Mass168.10
IUPAC Namemagnesium;hydride;2-methylideneheptanoic acid
SMILESC=C(CCCCC)C(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C8H14O2.Mg.2H/c1-3-4-5-6-7(2)8(9)10;;;/h2-6H2,1H3,(H,9,10);;;/q;+2;2*-1
InChIKeySQIJGOLDRYUHNZ-UHFFFAOYSA-N
XLogP2.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.52
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
2-methylidenehexanoic acid;zinc
CID 174824467
ethane;2-methylidenehexanoic acid
CID 162072915
8-ethyl-2-methylidenehenicosanoic acid
CID 23001942
4,4-dimethyl-2-methylidenepentanoic acid;2-methylideneheptanoic acid
CID 87445521
7-hexoxy-2-methylideneheptanoic acid
CID 141336232
2-methylidenebutanoic acid;2-methylidenehexanoic acid
CID 87730844
4,4-dimethyl-2-methylidenepentanoic acid;2-methylideneoctanoic acid
CID 118453604
2,11-dimethylidenedodecanedioic acid
CID 20542368
2-methylidene-5-pentoxypentanoic acid
CID 87899269
(9R,10R)-9,10-dibromo-2-methylideneoctadecanoic acid
CID 129383070
8,9-dibromo-2-methylideneoctadecanoic acid
CID 22753991

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;2-methylideneheptanoic acid?
The IUPAC name of magnesium;hydride;2-methylideneheptanoic acid (CID 174921756) is magnesium;hydride;2-methylideneheptanoic acid.
What is the SMILES notation for magnesium;hydride;2-methylideneheptanoic acid?
The canonical SMILES for magnesium;hydride;2-methylideneheptanoic acid is C=C(CCCCC)C(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;2-methylideneheptanoic acid?
The InChIKey is SQIJGOLDRYUHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.Mg.2H/c1-3-4-5-6-7(2)8(9)10;;;/h2-6H2,1H3,(H,9,10);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;2-methylideneheptanoic acid?
magnesium;hydride;2-methylideneheptanoic acid has a molecular weight of 168.52 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;2-methylideneheptanoic acid is sourced from PubChem (CID 174921756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).