magnesium;dipropan-2-yl carbonate;hydride;tetradecanoic acid

C21H44MgO5 — CID 174552156

IUPACmagnesium;dipropan-2-yl carbonate;hydride;tetradecanoic acid
SMILESCC(C)OC(=O)OC(C)C.CCCCCCCCCCCCCC(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C14H28O2.C7H14O3.Mg.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-5(2)9-7(8)10-6(3)4;;;/h2-13H2,1H3,(H,15,16);5-6H,1-4H3;;;/q;;+2;2*-1
InChIKeyFPAGYLXVCGAVOV-UHFFFAOYSA-N
MW400.88 g/mol
LogP6.57
Rot. Bonds14

About magnesium;dipropan-2-yl carbonate;hydride;tetradecanoic acid

magnesium;dipropan-2-yl carbonate;hydride;tetradecanoic acid (PubChem CID 174552156) has the molecular formula C21H44MgO5 and a molecular weight of 400.88 g/mol. Its IUPAC name is magnesium;dipropan-2-yl carbonate;hydride;tetradecanoic acid.

Molecular Properties

Compound Namemagnesium;dipropan-2-yl carbonate;hydride;tetradecanoic acid
PubChem CID174552156
Molecular FormulaC21H44MgO5
Molecular Weight400.88 g/mol
Exact Mass400.30
IUPAC Namemagnesium;dipropan-2-yl carbonate;hydride;tetradecanoic acid
SMILESCC(C)OC(=O)OC(C)C.CCCCCCCCCCCCCC(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C14H28O2.C7H14O3.Mg.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-5(2)9-7(8)10-6(3)4;;;/h2-13H2,1H3,(H,15,16);5-6H,1-4H3;;;/q;;+2;2*-1
InChIKeyFPAGYLXVCGAVOV-UHFFFAOYSA-N
XLogP6.57
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.88
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexadecanoic acid;propan-2-yl octadecanoate
CID 88712147
decamagnesium;hydride;bis(octadecanoic acid)
CID 173211528
dimagnesium;hydride;octadecanoic acid;tetradecanoic acid
CID 174909227
2-propan-2-yloxypropane;tetradecanoic acid
CID 172837764
undecamagnesium;pentakis(octadecanoic acid)
CID 173211480
nonamagnesium;pentadecakis(octadecanoic acid)
CID 173283309
sodium;dodecanoic acid;hydride
CID 173060618
disodium;hydride;tetradecanoic acid
CID 175149200
calcium;hydride;nonacosanoic acid
CID 173321722
sodium;decanoic acid;hydride;tetradecanoic acid
CID 173314479
barium(2+);hydride;tridecanoic acid
CID 174792677
calcium;hydride;tritriacontanoic acid
CID 173321714

Frequently Asked Questions

What is the IUPAC name of magnesium;dipropan-2-yl carbonate;hydride;tetradecanoic acid?
The IUPAC name of magnesium;dipropan-2-yl carbonate;hydride;tetradecanoic acid (CID 174552156) is magnesium;dipropan-2-yl carbonate;hydride;tetradecanoic acid.
What is the SMILES notation for magnesium;dipropan-2-yl carbonate;hydride;tetradecanoic acid?
The canonical SMILES for magnesium;dipropan-2-yl carbonate;hydride;tetradecanoic acid is CC(C)OC(=O)OC(C)C.CCCCCCCCCCCCCC(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;dipropan-2-yl carbonate;hydride;tetradecanoic acid?
The InChIKey is FPAGYLXVCGAVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.C7H14O3.Mg.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-5(2)9-7(8)10-6(3)4;;;/h2-13H2,1H3,(H,15,16);5-6H,1-4H3;;;/q;;+2;2*-1.
What are the key properties of magnesium;dipropan-2-yl carbonate;hydride;tetradecanoic acid?
magnesium;dipropan-2-yl carbonate;hydride;tetradecanoic acid has a molecular weight of 400.88 g/mol, XLogP of 6.57, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;dipropan-2-yl carbonate;hydride;tetradecanoic acid is sourced from PubChem (CID 174552156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).