iodoethane;iodomethane;2-iodo-2-methylpropane;1-iodopropane

C10H24I4 — CID 173246195

IUPACiodoethane;iodomethane;2-iodo-2-methylpropane;1-iodopropane
SMILESCC(C)(C)I.CCCI.CCI.CI
InChIInChI=1S/C4H9I.C3H7I.C2H5I.CH3I/c1-4(2,3)5;1-2-3-4;1-2-3;1-2/h1-3H3;2-3H2,1H3;2H2,1H3;1H3
InChIKeyKCPAUHGDWCDRPI-UHFFFAOYSA-N
MW651.92 g/mol
LogP6.54
Rot. Bonds1

About iodoethane;iodomethane;2-iodo-2-methylpropane;1-iodopropane

iodoethane;iodomethane;2-iodo-2-methylpropane;1-iodopropane (PubChem CID 173246195) has the molecular formula C10H24I4 and a molecular weight of 651.92 g/mol. Its IUPAC name is iodoethane;iodomethane;2-iodo-2-methylpropane;1-iodopropane.

Molecular Properties

Compound Nameiodoethane;iodomethane;2-iodo-2-methylpropane;1-iodopropane
PubChem CID173246195
Molecular FormulaC10H24I4
Molecular Weight651.92 g/mol
Exact Mass651.81
IUPAC Nameiodoethane;iodomethane;2-iodo-2-methylpropane;1-iodopropane
SMILESCC(C)(C)I.CCCI.CCI.CI
InChIInChI=1S/C4H9I.C3H7I.C2H5I.CH3I/c1-4(2,3)5;1-2-3-4;1-2-3;1-2/h1-3H3;2-3H2,1H3;2H2,1H3;1H3
InChIKeyKCPAUHGDWCDRPI-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.92
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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argon;iodoethane
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iodoethane;zinc
CID 87126812
N,N-diethylethanamine;1-iodopropane
CID 91479999
iodoethane;pentane
CID 142801861
magnesium;hydride;iodoethane
CID 172995056
iodoethane;methanol
CID 91561254
2-iodopentan-2-amine
CID 144517487
1,2-diiodo-2-methylheptane
CID 54368086
(2S)-2-fluoro-1,2-diiodopropane
CID 173497800

Frequently Asked Questions

What is the IUPAC name of iodoethane;iodomethane;2-iodo-2-methylpropane;1-iodopropane?
The IUPAC name of iodoethane;iodomethane;2-iodo-2-methylpropane;1-iodopropane (CID 173246195) is iodoethane;iodomethane;2-iodo-2-methylpropane;1-iodopropane.
What is the SMILES notation for iodoethane;iodomethane;2-iodo-2-methylpropane;1-iodopropane?
The canonical SMILES for iodoethane;iodomethane;2-iodo-2-methylpropane;1-iodopropane is CC(C)(C)I.CCCI.CCI.CI.
What is the InChIKey of iodoethane;iodomethane;2-iodo-2-methylpropane;1-iodopropane?
The InChIKey is KCPAUHGDWCDRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9I.C3H7I.C2H5I.CH3I/c1-4(2,3)5;1-2-3-4;1-2-3;1-2/h1-3H3;2-3H2,1H3;2H2,1H3;1H3.
What are the key properties of iodoethane;iodomethane;2-iodo-2-methylpropane;1-iodopropane?
iodoethane;iodomethane;2-iodo-2-methylpropane;1-iodopropane has a molecular weight of 651.92 g/mol, XLogP of 6.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodoethane;iodomethane;2-iodo-2-methylpropane;1-iodopropane is sourced from PubChem (CID 173246195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).