magnesium bis(2-[5-[(1R,2S)-2-octylcyclopentyl]pent-2-enylidene]dec-3-enoate)

C56H94MgO4 — CID 88823516

IUPACmagnesium bis(2-[5-[(1R,2S)-2-octylcyclopentyl]pent-2-enylidene]dec-3-enoate)
SMILESCCCCCCC=CC(=CC=CCC[C@H]1CCC[C@@H]1CCCCCCCC)C(=O)[O-].CCCCCCC=CC(=CC=CCC[C@H]1CCC[C@@H]1CCCCCCCC)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C28H48O2.Mg/c2*1-3-5-7-9-11-14-19-25-23-18-24-26(25)20-16-13-17-22-27(28(29)30)21-15-12-10-8-6-4-2;/h2*13,15,17,21-22,25-26H,3-12,14,16,18-20,23-24H2,1-2H3,(H,29,30);/q;;+2/p-2/t2*25-,26-;/m00./s1
InChIKeyOVRSZRSWWNEGRH-OMHPTGPQSA-L
MW855.67 g/mol
LogP15.00
Rot. Bonds36

About magnesium bis(2-[5-[(1R,2S)-2-octylcyclopentyl]pent-2-enylidene]dec-3-enoate)

magnesium bis(2-[5-[(1R,2S)-2-octylcyclopentyl]pent-2-enylidene]dec-3-enoate) (PubChem CID 88823516) has the molecular formula C56H94MgO4 and a molecular weight of 855.67 g/mol. Its IUPAC name is magnesium bis(2-[5-[(1R,2S)-2-octylcyclopentyl]pent-2-enylidene]dec-3-enoate).

Molecular Properties

Compound Namemagnesium bis(2-[5-[(1R,2S)-2-octylcyclopentyl]pent-2-enylidene]dec-3-enoate)
PubChem CID88823516
Molecular FormulaC56H94MgO4
Molecular Weight855.67 g/mol
Exact Mass854.70
IUPAC Namemagnesium bis(2-[5-[(1R,2S)-2-octylcyclopentyl]pent-2-enylidene]dec-3-enoate)
SMILESCCCCCCC=CC(=CC=CCC[C@H]1CCC[C@@H]1CCCCCCCC)C(=O)[O-].CCCCCCC=CC(=CC=CCC[C@H]1CCC[C@@H]1CCCCCCCC)C(=O)[O-].[Mg+2]
InChIInChI=1S/2C28H48O2.Mg/c2*1-3-5-7-9-11-14-19-25-23-18-24-26(25)20-16-13-17-22-27(28(29)30)21-15-12-10-8-6-4-2;/h2*13,15,17,21-22,25-26H,3-12,14,16,18-20,23-24H2,1-2H3,(H,29,30);/q;;+2/p-2/t2*25-,26-;/m00./s1
InChIKeyOVRSZRSWWNEGRH-OMHPTGPQSA-L
XLogP15.00
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds36
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.67
LogP ≤ 515.00
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze magnesium bis(2-[5-[(1R,2S)-2-octylcyclopentyl]pent-2-enylidene]dec-3-enoate) 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

(E)-7-[(1S,2S)-2-octylcyclopentyl]hept-2-enamide;propan-1-amine
CID 172785883
7-[(1R,2R)-2-(4-pentoxybutyl)cyclopentyl]hepta-2,4-dienoic acid
CID 88813766
8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol
CID 54030734
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
potassium 2-hydroxyicosa-2,4-dienoate
CID 172807710
potassium (2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoate
CID 23712824
formic acid;1-heptyl-2-octylcyclopentane;methane
CID 158445851
2-chloro-7-[(1S,2S)-2-octylcyclopentyl]hept-2-enoyl chloride
CID 175579587
magnesium bis(dec-2-enoate)
CID 159853408
7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide
CID 21403181

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2-[5-[(1R,2S)-2-octylcyclopentyl]pent-2-enylidene]dec-3-enoate)?
The IUPAC name of magnesium bis(2-[5-[(1R,2S)-2-octylcyclopentyl]pent-2-enylidene]dec-3-enoate) (CID 88823516) is magnesium bis(2-[5-[(1R,2S)-2-octylcyclopentyl]pent-2-enylidene]dec-3-enoate).
What is the SMILES notation for magnesium bis(2-[5-[(1R,2S)-2-octylcyclopentyl]pent-2-enylidene]dec-3-enoate)?
The canonical SMILES for magnesium bis(2-[5-[(1R,2S)-2-octylcyclopentyl]pent-2-enylidene]dec-3-enoate) is CCCCCCC=CC(=CC=CCC[C@H]1CCC[C@@H]1CCCCCCCC)C(=O)[O-].CCCCCCC=CC(=CC=CCC[C@H]1CCC[C@@H]1CCCCCCCC)C(=O)[O-].[Mg+2].
What is the InChIKey of magnesium bis(2-[5-[(1R,2S)-2-octylcyclopentyl]pent-2-enylidene]dec-3-enoate)?
The InChIKey is OVRSZRSWWNEGRH-OMHPTGPQSA-L. The full InChI is InChI=1S/2C28H48O2.Mg/c2*1-3-5-7-9-11-14-19-25-23-18-24-26(25)20-16-13-17-22-27(28(29)30)21-15-12-10-8-6-4-2;/h2*13,15,17,21-22,25-26H,3-12,14,16,18-20,23-24H2,1-2H3,(H,29,30);/q;;+2/p-2/t2*25-,26-;/m00./s1.
What are the key properties of magnesium bis(2-[5-[(1R,2S)-2-octylcyclopentyl]pent-2-enylidene]dec-3-enoate)?
magnesium bis(2-[5-[(1R,2S)-2-octylcyclopentyl]pent-2-enylidene]dec-3-enoate) has a molecular weight of 855.67 g/mol, XLogP of 15.00, 36 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2-[5-[(1R,2S)-2-octylcyclopentyl]pent-2-enylidene]dec-3-enoate) is sourced from PubChem (CID 88823516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).