magnesium;1-(1-decoxyhexoxy)decane;bromide

C26H53BrMgO2 — CID 165175041

IUPACmagnesium;1-(1-decoxyhexoxy)decane;bromide
SMILES[Br-].[CH2-]CCCCC(OCCCCCCCCCC)OCCCCCCCCCC.[Mg+2]
InChIInChI=1S/C26H53O2.BrH.Mg/c1-4-7-10-12-14-16-18-21-24-27-26(23-20-9-6-3)28-25-22-19-17-15-13-11-8-5-2;;/h26H,3-25H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyRLCLITLOYNXXAC-UHFFFAOYSA-M
MW501.92 g/mol
LogP5.64
Rot. Bonds24

About magnesium;1-(1-decoxyhexoxy)decane;bromide

magnesium;1-(1-decoxyhexoxy)decane;bromide (PubChem CID 165175041) has the molecular formula C26H53BrMgO2 and a molecular weight of 501.92 g/mol. Its IUPAC name is magnesium;1-(1-decoxyhexoxy)decane;bromide.

Molecular Properties

Compound Namemagnesium;1-(1-decoxyhexoxy)decane;bromide
PubChem CID165175041
Molecular FormulaC26H53BrMgO2
Molecular Weight501.92 g/mol
Exact Mass500.31
IUPAC Namemagnesium;1-(1-decoxyhexoxy)decane;bromide
SMILES[Br-].[CH2-]CCCCC(OCCCCCCCCCC)OCCCCCCCCCC.[Mg+2]
InChIInChI=1S/C26H53O2.BrH.Mg/c1-4-7-10-12-14-16-18-21-24-27-26(23-20-9-6-3)28-25-22-19-17-15-13-11-8-5-2;;/h26H,3-25H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyRLCLITLOYNXXAC-UHFFFAOYSA-M
XLogP5.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.92
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze magnesium;1-(1-decoxyhexoxy)decane;bromide 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

1,1-dibutoxyoctane
CID 54557001
6-methyl-1,1-dioctoxyheptane
CID 171428766
1-(6-chloro-1-heptoxyhexoxy)heptane
CID 165175032
1-(15,15-dioctoxy-1-propoxypentadecoxy)-15,15-dioctoxy-1-propoxypentadecane
CID 175225222
10-bromo-1,1-di(nonoxy)decane
CID 146509943
1-(7-bromo-1-octoxyheptoxy)octane
CID 146464261
1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane
CID 175168734
15-[19,19-di(nonoxy)nonadecan-5-yloxy]-1,1-di(nonoxy)nonadecane
CID 175226226
2-(1-hexoxyhexadecoxy)acetic acid
CID 175401569
4,4-di(tetradecoxy)butan-1-amine
CID 87630255
4,4-dioctadecoxybutan-1-amine
CID 87498240
magnesium;octadecane;bromide
CID 12546206

Frequently Asked Questions

What is the IUPAC name of magnesium;1-(1-decoxyhexoxy)decane;bromide?
The IUPAC name of magnesium;1-(1-decoxyhexoxy)decane;bromide (CID 165175041) is magnesium;1-(1-decoxyhexoxy)decane;bromide.
What is the SMILES notation for magnesium;1-(1-decoxyhexoxy)decane;bromide?
The canonical SMILES for magnesium;1-(1-decoxyhexoxy)decane;bromide is [Br-].[CH2-]CCCCC(OCCCCCCCCCC)OCCCCCCCCCC.[Mg+2].
What is the InChIKey of magnesium;1-(1-decoxyhexoxy)decane;bromide?
The InChIKey is RLCLITLOYNXXAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H53O2.BrH.Mg/c1-4-7-10-12-14-16-18-21-24-27-26(23-20-9-6-3)28-25-22-19-17-15-13-11-8-5-2;;/h26H,3-25H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-(1-decoxyhexoxy)decane;bromide?
magnesium;1-(1-decoxyhexoxy)decane;bromide has a molecular weight of 501.92 g/mol, XLogP of 5.64, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-(1-decoxyhexoxy)decane;bromide is sourced from PubChem (CID 165175041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).