magnesium 2-dodecyl-2-propylpropanedioate

C18H32MgO4 — CID 153423975

IUPACmagnesium 2-dodecyl-2-propylpropanedioate
SMILESCCCCCCCCCCCCC(CCC)(C(=O)[O-])C(=O)[O-].[Mg+2]
InChIInChI=1S/C18H34O4.Mg/c1-3-5-6-7-8-9-10-11-12-13-15-18(14-4-2,16(19)20)17(21)22;/h3-15H2,1-2H3,(H,19,20)(H,21,22);/q;+2/p-2
InChIKeyFBADTONRFAOXRT-UHFFFAOYSA-L
MW336.76 g/mol
LogP2.20
Rot. Bonds15

About magnesium 2-dodecyl-2-propylpropanedioate

magnesium 2-dodecyl-2-propylpropanedioate (PubChem CID 153423975) has the molecular formula C18H32MgO4 and a molecular weight of 336.76 g/mol. Its IUPAC name is magnesium 2-dodecyl-2-propylpropanedioate.

Molecular Properties

Compound Namemagnesium 2-dodecyl-2-propylpropanedioate
PubChem CID153423975
Molecular FormulaC18H32MgO4
Molecular Weight336.76 g/mol
Exact Mass336.22
IUPAC Namemagnesium 2-dodecyl-2-propylpropanedioate
SMILESCCCCCCCCCCCCC(CCC)(C(=O)[O-])C(=O)[O-].[Mg+2]
InChIInChI=1S/C18H34O4.Mg/c1-3-5-6-7-8-9-10-11-12-13-15-18(14-4-2,16(19)20)17(21)22;/h3-15H2,1-2H3,(H,19,20)(H,21,22);/q;+2/p-2
InChIKeyFBADTONRFAOXRT-UHFFFAOYSA-L
XLogP2.20
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.76
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium 2-dodecyl-2-propylpropanedioate?
The IUPAC name of magnesium 2-dodecyl-2-propylpropanedioate (CID 153423975) is magnesium 2-dodecyl-2-propylpropanedioate.
What is the SMILES notation for magnesium 2-dodecyl-2-propylpropanedioate?
The canonical SMILES for magnesium 2-dodecyl-2-propylpropanedioate is CCCCCCCCCCCCC(CCC)(C(=O)[O-])C(=O)[O-].[Mg+2].
What is the InChIKey of magnesium 2-dodecyl-2-propylpropanedioate?
The InChIKey is FBADTONRFAOXRT-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H34O4.Mg/c1-3-5-6-7-8-9-10-11-12-13-15-18(14-4-2,16(19)20)17(21)22;/h3-15H2,1-2H3,(H,19,20)(H,21,22);/q;+2/p-2.
What are the key properties of magnesium 2-dodecyl-2-propylpropanedioate?
magnesium 2-dodecyl-2-propylpropanedioate has a molecular weight of 336.76 g/mol, XLogP of 2.20, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 2-dodecyl-2-propylpropanedioate is sourced from PubChem (CID 153423975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).