1-iodohexane;zinc

C6H12IZn- — CID 87180857

IUPAC1-iodohexane;zinc
SMILES[CH2-]CCCCCI.[Zn]
InChIInChI=1S/C6H12I.Zn/c1-2-3-4-5-6-7;/h1-6H2;/q-1;
InChIKeyCCLMVEOWIMLDCY-UHFFFAOYSA-N
MW276.46 g/mol
LogP2.81
Rot. Bonds4

About 1-iodohexane;zinc

1-iodohexane;zinc (PubChem CID 87180857) has the molecular formula C6H12IZn- and a molecular weight of 276.46 g/mol. Its IUPAC name is 1-iodohexane;zinc.

Molecular Properties

Compound Name1-iodohexane;zinc
PubChem CID87180857
Molecular FormulaC6H12IZn-
Molecular Weight276.46 g/mol
Exact Mass274.93
IUPAC Name1-iodohexane;zinc
SMILES[CH2-]CCCCCI.[Zn]
InChIInChI=1S/C6H12I.Zn/c1-2-3-4-5-6-7;/h1-6H2;/q-1;
InChIKeyCCLMVEOWIMLDCY-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.46
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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CID 4060847
hexane;uranium
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dimagnesium;dodecane;dibromide
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bis(octane);zinc
CID 175041964
dimagnesium;hexane;dibromide
CID 10334549
CID 158218967
CID 158218967
7-iodohept-1-ene
CID 10632882
heptane;iodomanganese(1+)
CID 12512202
CID 175765895
CID 175765895
1-bromo-7-iodoheptane
CID 57289617
heptadecane
CID 156905849
18-iodooctadecan-1-ol
CID 87686548

Frequently Asked Questions

What is the IUPAC name of 1-iodohexane;zinc?
The IUPAC name of 1-iodohexane;zinc (CID 87180857) is 1-iodohexane;zinc.
What is the SMILES notation for 1-iodohexane;zinc?
The canonical SMILES for 1-iodohexane;zinc is [CH2-]CCCCCI.[Zn].
What is the InChIKey of 1-iodohexane;zinc?
The InChIKey is CCLMVEOWIMLDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12I.Zn/c1-2-3-4-5-6-7;/h1-6H2;/q-1;.
What are the key properties of 1-iodohexane;zinc?
1-iodohexane;zinc has a molecular weight of 276.46 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodohexane;zinc is sourced from PubChem (CID 87180857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).