trimagnesium;1-bromohexane;3-bromothiophene;bis(hexane);3-hexylthiophene;hydride;dibromide

C32H60Br4Mg3S2 — CID 161494659

IUPACtrimagnesium;1-bromohexane;3-bromothiophene;bis(hexane);3-hexylthiophene;hydride;dibromide
SMILESBrc1ccsc1.CCCCCCBr.CCCCCCc1ccsc1.[Br-].[Br-].[CH2-]CCCCC.[CH2-]CCCCC.[H-].[H-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/C10H16S.C6H13Br.2C6H13.C4H3BrS.2BrH.3Mg.2H/c1-2-3-4-5-6-10-7-8-11-9-10;1-2-3-4-5-6-7;2*1-3-5-6-4-2;5-4-1-2-6-3-4;;;;;;;/h7-9H,2-6H2,1H3;2-6H2,1H3;2*1,3-6H2,2H3;1-3H;2*1H;;;;;/q;;2*-1;;;;3*+2;2*-1/p-2
InChIKeyPZBPUAKXPHKKEH-UHFFFAOYSA-L
MW901.50 g/mol
LogP7.24
Rot. Bonds15

About trimagnesium;1-bromohexane;3-bromothiophene;bis(hexane);3-hexylthiophene;hydride;dibromide

trimagnesium;1-bromohexane;3-bromothiophene;bis(hexane);3-hexylthiophene;hydride;dibromide (PubChem CID 161494659) has the molecular formula C32H60Br4Mg3S2 and a molecular weight of 901.50 g/mol. Its IUPAC name is trimagnesium;1-bromohexane;3-bromothiophene;bis(hexane);3-hexylthiophene;hydride;dibromide.

Molecular Properties

Compound Nametrimagnesium;1-bromohexane;3-bromothiophene;bis(hexane);3-hexylthiophene;hydride;dibromide
PubChem CID161494659
Molecular FormulaC32H60Br4Mg3S2
Molecular Weight901.50 g/mol
Exact Mass896.04
IUPAC Nametrimagnesium;1-bromohexane;3-bromothiophene;bis(hexane);3-hexylthiophene;hydride;dibromide
SMILESBrc1ccsc1.CCCCCCBr.CCCCCCc1ccsc1.[Br-].[Br-].[CH2-]CCCCC.[CH2-]CCCCC.[H-].[H-].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/C10H16S.C6H13Br.2C6H13.C4H3BrS.2BrH.3Mg.2H/c1-2-3-4-5-6-10-7-8-11-9-10;1-2-3-4-5-6-7;2*1-3-5-6-4-2;5-4-1-2-6-3-4;;;;;;;/h7-9H,2-6H2,1H3;2-6H2,1H3;2*1,3-6H2,2H3;1-3H;2*1H;;;;;/q;;2*-1;;;;3*+2;2*-1/p-2
InChIKeyPZBPUAKXPHKKEH-UHFFFAOYSA-L
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.50
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of trimagnesium;1-bromohexane;3-bromothiophene;bis(hexane);3-hexylthiophene;hydride;dibromide?
The IUPAC name of trimagnesium;1-bromohexane;3-bromothiophene;bis(hexane);3-hexylthiophene;hydride;dibromide (CID 161494659) is trimagnesium;1-bromohexane;3-bromothiophene;bis(hexane);3-hexylthiophene;hydride;dibromide.
What is the SMILES notation for trimagnesium;1-bromohexane;3-bromothiophene;bis(hexane);3-hexylthiophene;hydride;dibromide?
The canonical SMILES for trimagnesium;1-bromohexane;3-bromothiophene;bis(hexane);3-hexylthiophene;hydride;dibromide is Brc1ccsc1.CCCCCCBr.CCCCCCc1ccsc1.[Br-].[Br-].[CH2-]CCCCC.[CH2-]CCCCC.[H-].[H-].[Mg+2].[Mg+2].[Mg+2].
What is the InChIKey of trimagnesium;1-bromohexane;3-bromothiophene;bis(hexane);3-hexylthiophene;hydride;dibromide?
The InChIKey is PZBPUAKXPHKKEH-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H16S.C6H13Br.2C6H13.C4H3BrS.2BrH.3Mg.2H/c1-2-3-4-5-6-10-7-8-11-9-10;1-2-3-4-5-6-7;2*1-3-5-6-4-2;5-4-1-2-6-3-4;;;;;;;/h7-9H,2-6H2,1H3;2-6H2,1H3;2*1,3-6H2,2H3;1-3H;2*1H;;;;;/q;;2*-1;;;;3*+2;2*-1/p-2.
What are the key properties of trimagnesium;1-bromohexane;3-bromothiophene;bis(hexane);3-hexylthiophene;hydride;dibromide?
trimagnesium;1-bromohexane;3-bromothiophene;bis(hexane);3-hexylthiophene;hydride;dibromide has a molecular weight of 901.50 g/mol, XLogP of 7.24, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium;1-bromohexane;3-bromothiophene;bis(hexane);3-hexylthiophene;hydride;dibromide is sourced from PubChem (CID 161494659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).