magnesium bis(dec-2-enoate)

C20H34MgO4 — CID 159853408

IUPACmagnesium bis(dec-2-enoate)
SMILESCCCCCCCC=CC(=O)[O-].CCCCCCCC=CC(=O)[O-].[Mg+2]
InChIInChI=1S/2C10H18O2.Mg/c2*1-2-3-4-5-6-7-8-9-10(11)12;/h2*8-9H,2-7H2,1H3,(H,11,12);/q;;+2/p-2
InChIKeyQMSKRYRRBJJMDW-UHFFFAOYSA-L
MW362.79 g/mol
LogP2.93
Rot. Bonds14

About magnesium bis(dec-2-enoate)

magnesium bis(dec-2-enoate) (PubChem CID 159853408) has the molecular formula C20H34MgO4 and a molecular weight of 362.79 g/mol. Its IUPAC name is magnesium bis(dec-2-enoate).

Molecular Properties

Compound Namemagnesium bis(dec-2-enoate)
PubChem CID159853408
Molecular FormulaC20H34MgO4
Molecular Weight362.79 g/mol
Exact Mass362.23
IUPAC Namemagnesium bis(dec-2-enoate)
SMILESCCCCCCCC=CC(=O)[O-].CCCCCCCC=CC(=O)[O-].[Mg+2]
InChIInChI=1S/2C10H18O2.Mg/c2*1-2-3-4-5-6-7-8-9-10(11)12;/h2*8-9H,2-7H2,1H3,(H,11,12);/q;;+2/p-2
InChIKeyQMSKRYRRBJJMDW-UHFFFAOYSA-L
XLogP2.93
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

lead(2+);bis(undec-2-enoate)
CID 87254257
lithium nonadec-2-enoate
CID 139791513
azanium dec-2-enoate
CID 162335967
manganese(2+);bis(undec-2-enoate)
CID 89315247
neodymium(3+);tris(oct-2-enoate)
CID 158634826
diazanium;ethanolate;undec-2-enoate
CID 141132722
calcium bis(hept-2-enoate)
CID 141143408
(2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate
CID 21145301
bismuth bis((2E,4E)-dodeca-2,4-dienoate)
CID 6433559
sodium icosa-2,4,6,8-tetraenoate
CID 165168536
sodium docosa-2,4,6,8,10,12-hexaenoate
CID 173150739
silver icosa-2,4,6,8,10-pentaenoate
CID 173148678

Frequently Asked Questions

What is the IUPAC name of magnesium bis(dec-2-enoate)?
The IUPAC name of magnesium bis(dec-2-enoate) (CID 159853408) is magnesium bis(dec-2-enoate).
What is the SMILES notation for magnesium bis(dec-2-enoate)?
The canonical SMILES for magnesium bis(dec-2-enoate) is CCCCCCCC=CC(=O)[O-].CCCCCCCC=CC(=O)[O-].[Mg+2].
What is the InChIKey of magnesium bis(dec-2-enoate)?
The InChIKey is QMSKRYRRBJJMDW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H18O2.Mg/c2*1-2-3-4-5-6-7-8-9-10(11)12;/h2*8-9H,2-7H2,1H3,(H,11,12);/q;;+2/p-2.
What are the key properties of magnesium bis(dec-2-enoate)?
magnesium bis(dec-2-enoate) has a molecular weight of 362.79 g/mol, XLogP of 2.93, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(dec-2-enoate) is sourced from PubChem (CID 159853408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).