heptane;iodomanganese(1+)

C7H15IMn — CID 12512202

IUPACheptane;iodomanganese(1+)
SMILES[CH2-]CCCCCC.[Mn+]I
InChIInChI=1S/C7H15.HI.Mn/c1-3-5-7-6-4-2;;/h1,3-7H2,2H3;1H;/q-1;;+2/p-1
InChIKeyFHMDEUQVBXKVGI-UHFFFAOYSA-M
MW281.04 g/mol
LogP3.67
Rot. Bonds4

About heptane;iodomanganese(1+)

heptane;iodomanganese(1+) (PubChem CID 12512202) has the molecular formula C7H15IMn and a molecular weight of 281.04 g/mol. Its IUPAC name is heptane;iodomanganese(1+).

Molecular Properties

Compound Nameheptane;iodomanganese(1+)
PubChem CID12512202
Molecular FormulaC7H15IMn
Molecular Weight281.04 g/mol
Exact Mass280.96
IUPAC Nameheptane;iodomanganese(1+)
SMILES[CH2-]CCCCCC.[Mn+]I
InChIInChI=1S/C7H15.HI.Mn/c1-3-5-7-6-4-2;;/h1,3-7H2,2H3;1H;/q-1;;+2/p-1
InChIKeyFHMDEUQVBXKVGI-UHFFFAOYSA-M
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.04
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze heptane;iodomanganese(1+) 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

CID 158218967
CID 158218967
heptadecane
CID 156905849
cerium;dodecane
CID 154114371
zinc heptane
CID 4204916
dodecane;zirconium
CID 148549415
bis(octane);zinc
CID 175041964
tris(heptane);vanadium
CID 59340167
sodium tritriacontane
CID 150964196
tetrakis(heptane);zirconium(4+)
CID 154501032
lithium tridecane
CID 11321439
tetrakis(dodecane);zirconium(4+)
CID 173426195
lithium heptadecane
CID 12950399

Frequently Asked Questions

What is the IUPAC name of heptane;iodomanganese(1+)?
The IUPAC name of heptane;iodomanganese(1+) (CID 12512202) is heptane;iodomanganese(1+).
What is the SMILES notation for heptane;iodomanganese(1+)?
The canonical SMILES for heptane;iodomanganese(1+) is [CH2-]CCCCCC.[Mn+]I.
What is the InChIKey of heptane;iodomanganese(1+)?
The InChIKey is FHMDEUQVBXKVGI-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15.HI.Mn/c1-3-5-7-6-4-2;;/h1,3-7H2,2H3;1H;/q-1;;+2/p-1.
What are the key properties of heptane;iodomanganese(1+)?
heptane;iodomanganese(1+) has a molecular weight of 281.04 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptane;iodomanganese(1+) is sourced from PubChem (CID 12512202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).