lithium;bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dihydrobromide

C13H26Br2LiOP — CID 172837312

IUPAClithium;bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dihydrobromide
SMILESBr.Br.CC(C)CP(O)CC(C)C.[Li+].c1cc[cH-]c1
InChIInChI=1S/C8H19OP.C5H5.2BrH.Li/c1-7(2)5-10(9)6-8(3)4;1-2-4-5-3-1;;;/h7-9H,5-6H2,1-4H3;1-5H;2*1H;/q;-1;;;+1
InChIKeyMFEFTKOGXUXHHR-UHFFFAOYSA-N
MW396.07 g/mol
LogP2.25
Rot. Bonds4

About lithium;bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dihydrobromide

lithium;bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dihydrobromide (PubChem CID 172837312) has the molecular formula C13H26Br2LiOP and a molecular weight of 396.07 g/mol. Its IUPAC name is lithium;bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dihydrobromide.

Molecular Properties

Compound Namelithium;bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dihydrobromide
PubChem CID172837312
Molecular FormulaC13H26Br2LiOP
Molecular Weight396.07 g/mol
Exact Mass394.02
IUPAC Namelithium;bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dihydrobromide
SMILESBr.Br.CC(C)CP(O)CC(C)C.[Li+].c1cc[cH-]c1
InChIInChI=1S/C8H19OP.C5H5.2BrH.Li/c1-7(2)5-10(9)6-8(3)4;1-2-4-5-3-1;;;/h7-9H,5-6H2,1-4H3;1-5H;2*1H;/q;-1;;;+1
InChIKeyMFEFTKOGXUXHHR-UHFFFAOYSA-N
XLogP2.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.07
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dihydrobromide?
The IUPAC name of lithium;bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dihydrobromide (CID 172837312) is lithium;bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dihydrobromide.
What is the SMILES notation for lithium;bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dihydrobromide?
The canonical SMILES for lithium;bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dihydrobromide is Br.Br.CC(C)CP(O)CC(C)C.[Li+].c1cc[cH-]c1.
What is the InChIKey of lithium;bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dihydrobromide?
The InChIKey is MFEFTKOGXUXHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19OP.C5H5.2BrH.Li/c1-7(2)5-10(9)6-8(3)4;1-2-4-5-3-1;;;/h7-9H,5-6H2,1-4H3;1-5H;2*1H;/q;-1;;;+1.
What are the key properties of lithium;bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dihydrobromide?
lithium;bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dihydrobromide has a molecular weight of 396.07 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis(2-methylpropyl)phosphinous acid;cyclopenta-1,3-diene;dihydrobromide is sourced from PubChem (CID 172837312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).