magnesium bis(2-propyldodecanoate)

C30H58MgO4 — CID 21393972

IUPACmagnesium bis(2-propyldodecanoate)
SMILESCCCCCCCCCCC(CCC)C(=O)[O-].CCCCCCCCCCC(CCC)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C15H30O2.Mg/c2*1-3-5-6-7-8-9-10-11-13-14(12-4-2)15(16)17;/h2*14H,3-13H2,1-2H3,(H,16,17);/q;;+2/p-2
InChIKeyAULHPALBCJNRCD-UHFFFAOYSA-L
MW507.10 g/mol
LogP6.99
Rot. Bonds24

About magnesium bis(2-propyldodecanoate)

magnesium bis(2-propyldodecanoate) (PubChem CID 21393972) has the molecular formula C30H58MgO4 and a molecular weight of 507.10 g/mol. Its IUPAC name is magnesium bis(2-propyldodecanoate).

Molecular Properties

Compound Namemagnesium bis(2-propyldodecanoate)
PubChem CID21393972
Molecular FormulaC30H58MgO4
Molecular Weight507.10 g/mol
Exact Mass506.42
IUPAC Namemagnesium bis(2-propyldodecanoate)
SMILESCCCCCCCCCCC(CCC)C(=O)[O-].CCCCCCCCCCC(CCC)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C15H30O2.Mg/c2*1-3-5-6-7-8-9-10-11-13-14(12-4-2)15(16)17;/h2*14H,3-13H2,1-2H3,(H,16,17);/q;;+2/p-2
InChIKeyAULHPALBCJNRCD-UHFFFAOYSA-L
XLogP6.99
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.10
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze magnesium bis(2-propyldodecanoate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butylnonanoate
CID 20977072
(2S)-2-butyloctanoate
CID 86308644
magnesium bis(2-propylpentanoate)
CID 13327120
potassium 2-ethyldodecanoate
CID 90238812
lithium 2-ethyloctanoate
CID 155386691
CID 102267675
CID 102267675
bis(2-decyltetradecanoate);bis(tributylazanium)
CID 161307168
dilithium bis(2-propylpentanoate)
CID 140557398
sodium (Z)-2-hexadecyloctadec-9-enoate
CID 174999007
barium(2+);2-(2-sulfidoethyl)octadecanoate;hydrate
CID 138397224
sodium (2R)-7-oxo-2-propyloctanoate
CID 87583570
methyltin(3+);tris(2-(sulfanylmethyl)decanoate)
CID 159739787

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-propyldodecanoate)?
The IUPAC name of magnesium bis(2-propyldodecanoate) (CID 21393972) is magnesium bis(2-propyldodecanoate).
What is the SMILES notation for magnesium bis(2-propyldodecanoate)?
The canonical SMILES for magnesium bis(2-propyldodecanoate) is CCCCCCCCCCC(CCC)C(=O)[O-].CCCCCCCCCCC(CCC)C(=O)[O-].[Mg+2].
What is the InChIKey of magnesium bis(2-propyldodecanoate)?
The InChIKey is AULHPALBCJNRCD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H30O2.Mg/c2*1-3-5-6-7-8-9-10-11-13-14(12-4-2)15(16)17;/h2*14H,3-13H2,1-2H3,(H,16,17);/q;;+2/p-2.
What are the key properties of magnesium bis(2-propyldodecanoate)?
magnesium bis(2-propyldodecanoate) has a molecular weight of 507.10 g/mol, XLogP of 6.99, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-propyldodecanoate) is sourced from PubChem (CID 21393972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).