magnesium;3-dodecyl-2H-thiophen-2-ide;bromide

C16H27BrMgS — CID 87523427

IUPACmagnesium;3-dodecyl-2H-thiophen-2-ide;bromide
SMILESCCCCCCCCCCCCc1[c-]scc1.[Br-].[Mg+2]
InChIInChI=1S/C16H27S.BrH.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16;;/h13-14H,2-12H2,1H3;1H;/q-1;;+2/p-1
InChIKeyFQEJITDDAIUYJL-UHFFFAOYSA-M
MW355.67 g/mol
LogP2.63
Rot. Bonds11

About magnesium;3-dodecyl-2H-thiophen-2-ide;bromide

magnesium;3-dodecyl-2H-thiophen-2-ide;bromide (PubChem CID 87523427) has the molecular formula C16H27BrMgS and a molecular weight of 355.67 g/mol. Its IUPAC name is magnesium;3-dodecyl-2H-thiophen-2-ide;bromide.

Molecular Properties

Compound Namemagnesium;3-dodecyl-2H-thiophen-2-ide;bromide
PubChem CID87523427
Molecular FormulaC16H27BrMgS
Molecular Weight355.67 g/mol
Exact Mass354.09
IUPAC Namemagnesium;3-dodecyl-2H-thiophen-2-ide;bromide
SMILESCCCCCCCCCCCCc1[c-]scc1.[Br-].[Mg+2]
InChIInChI=1S/C16H27S.BrH.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16;;/h13-14H,2-12H2,1H3;1H;/q-1;;+2/p-1
InChIKeyFQEJITDDAIUYJL-UHFFFAOYSA-M
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.67
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;3-dodecyl-2H-thiophen-2-ide;bromide?
The IUPAC name of magnesium;3-dodecyl-2H-thiophen-2-ide;bromide (CID 87523427) is magnesium;3-dodecyl-2H-thiophen-2-ide;bromide.
What is the SMILES notation for magnesium;3-dodecyl-2H-thiophen-2-ide;bromide?
The canonical SMILES for magnesium;3-dodecyl-2H-thiophen-2-ide;bromide is CCCCCCCCCCCCc1[c-]scc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;3-dodecyl-2H-thiophen-2-ide;bromide?
The InChIKey is FQEJITDDAIUYJL-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H27S.BrH.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16;;/h13-14H,2-12H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;3-dodecyl-2H-thiophen-2-ide;bromide?
magnesium;3-dodecyl-2H-thiophen-2-ide;bromide has a molecular weight of 355.67 g/mol, XLogP of 2.63, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-dodecyl-2H-thiophen-2-ide;bromide is sourced from PubChem (CID 87523427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).