butyl(phenyl)azanide;manganese;2-methylpent-2-en-3-ol

C16H26MnNO- — CID 11415400

IUPACbutyl(phenyl)azanide;manganese;2-methylpent-2-en-3-ol
SMILESCCC(O)=C(C)C.CCCC[N-]c1ccccc1.[Mn]
InChIInChI=1S/C10H14N.C6H12O.Mn/c1-2-3-9-11-10-7-5-4-6-8-10;1-4-6(7)5(2)3;/h4-8H,2-3,9H2,1H3;7H,4H2,1-3H3;/q-1;;
InChIKeyIPSLVUNKAQRUKI-UHFFFAOYSA-N
MW303.33 g/mol
LogP5.74
Rot. Bonds5

About butyl(phenyl)azanide;manganese;2-methylpent-2-en-3-ol

butyl(phenyl)azanide;manganese;2-methylpent-2-en-3-ol (PubChem CID 11415400) has the molecular formula C16H26MnNO- and a molecular weight of 303.33 g/mol. Its IUPAC name is butyl(phenyl)azanide;manganese;2-methylpent-2-en-3-ol.

Molecular Properties

Compound Namebutyl(phenyl)azanide;manganese;2-methylpent-2-en-3-ol
PubChem CID11415400
Molecular FormulaC16H26MnNO-
Molecular Weight303.33 g/mol
Exact Mass303.14
IUPAC Namebutyl(phenyl)azanide;manganese;2-methylpent-2-en-3-ol
SMILESCCC(O)=C(C)C.CCCC[N-]c1ccccc1.[Mn]
InChIInChI=1S/C10H14N.C6H12O.Mn/c1-2-3-9-11-10-7-5-4-6-8-10;1-4-6(7)5(2)3;/h4-8H,2-3,9H2,1H3;7H,4H2,1-3H3;/q-1;;
InChIKeyIPSLVUNKAQRUKI-UHFFFAOYSA-N
XLogP5.74
TPSA34.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.33
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butyl(phenyl)azanide;manganese;2-methylpent-2-en-3-ol?
The IUPAC name of butyl(phenyl)azanide;manganese;2-methylpent-2-en-3-ol (CID 11415400) is butyl(phenyl)azanide;manganese;2-methylpent-2-en-3-ol.
What is the SMILES notation for butyl(phenyl)azanide;manganese;2-methylpent-2-en-3-ol?
The canonical SMILES for butyl(phenyl)azanide;manganese;2-methylpent-2-en-3-ol is CCC(O)=C(C)C.CCCC[N-]c1ccccc1.[Mn].
What is the InChIKey of butyl(phenyl)azanide;manganese;2-methylpent-2-en-3-ol?
The InChIKey is IPSLVUNKAQRUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N.C6H12O.Mn/c1-2-3-9-11-10-7-5-4-6-8-10;1-4-6(7)5(2)3;/h4-8H,2-3,9H2,1H3;7H,4H2,1-3H3;/q-1;;.
What are the key properties of butyl(phenyl)azanide;manganese;2-methylpent-2-en-3-ol?
butyl(phenyl)azanide;manganese;2-methylpent-2-en-3-ol has a molecular weight of 303.33 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(phenyl)azanide;manganese;2-methylpent-2-en-3-ol is sourced from PubChem (CID 11415400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).