1-iodobutane;iodomethane;tris(1-iodopentane);1-iodopropane

C23H52I6 — CID 159910263

IUPAC1-iodobutane;iodomethane;tris(1-iodopentane);1-iodopropane
SMILESCCCCCI.CCCCCI.CCCCCI.CCCCI.CCCI.CI
InChIInChI=1S/3C5H11I.C4H9I.C3H7I.CH3I/c3*1-2-3-4-5-6;1-2-3-4-5;1-2-3-4;1-2/h3*2-5H2,1H3;2-4H2,1H3;2-3H2,1H3;1H3
InChIKeyNXCDYNJFODOYQI-UHFFFAOYSA-N
MW1090.09 g/mol
LogP12.94
Rot. Bonds12

About 1-iodobutane;iodomethane;tris(1-iodopentane);1-iodopropane

1-iodobutane;iodomethane;tris(1-iodopentane);1-iodopropane (PubChem CID 159910263) has the molecular formula C23H52I6 and a molecular weight of 1090.09 g/mol. Its IUPAC name is 1-iodobutane;iodomethane;tris(1-iodopentane);1-iodopropane.

Molecular Properties

Compound Name1-iodobutane;iodomethane;tris(1-iodopentane);1-iodopropane
PubChem CID159910263
Molecular FormulaC23H52I6
Molecular Weight1090.09 g/mol
Exact Mass1089.83
IUPAC Name1-iodobutane;iodomethane;tris(1-iodopentane);1-iodopropane
SMILESCCCCCI.CCCCCI.CCCCCI.CCCCI.CCCI.CI
InChIInChI=1S/3C5H11I.C4H9I.C3H7I.CH3I/c3*1-2-3-4-5-6;1-2-3-4-5;1-2-3-4;1-2/h3*2-5H2,1H3;2-4H2,1H3;2-3H2,1H3;1H3
InChIKeyNXCDYNJFODOYQI-UHFFFAOYSA-N
XLogP12.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001090.09
LogP ≤ 512.94
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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CID 88696051
1-iodooctane;phosphane
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CID 173319827
hydroxysilane;1-iodohexane
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iodomethane;octadecane
CID 174964097
1-iodobutane;2-iodobutane;1-iododecane;1-iodododecane;1-iodohexadecane;1-iodohexane;1-iodooctane;1-iodopentane;hydroiodide
CID 173246565
7-(4-iodobutyl)tridecane
CID 155905887
15-iodopentadec-7-yne
CID 10496912
1-iodooctadec-9-ene
CID 54335448
N-(4-iodobutyl)octan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-iodobutane;iodomethane;tris(1-iodopentane);1-iodopropane?
The IUPAC name of 1-iodobutane;iodomethane;tris(1-iodopentane);1-iodopropane (CID 159910263) is 1-iodobutane;iodomethane;tris(1-iodopentane);1-iodopropane.
What is the SMILES notation for 1-iodobutane;iodomethane;tris(1-iodopentane);1-iodopropane?
The canonical SMILES for 1-iodobutane;iodomethane;tris(1-iodopentane);1-iodopropane is CCCCCI.CCCCCI.CCCCCI.CCCCI.CCCI.CI.
What is the InChIKey of 1-iodobutane;iodomethane;tris(1-iodopentane);1-iodopropane?
The InChIKey is NXCDYNJFODOYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H11I.C4H9I.C3H7I.CH3I/c3*1-2-3-4-5-6;1-2-3-4-5;1-2-3-4;1-2/h3*2-5H2,1H3;2-4H2,1H3;2-3H2,1H3;1H3.
What are the key properties of 1-iodobutane;iodomethane;tris(1-iodopentane);1-iodopropane?
1-iodobutane;iodomethane;tris(1-iodopentane);1-iodopropane has a molecular weight of 1090.09 g/mol, XLogP of 12.94, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodobutane;iodomethane;tris(1-iodopentane);1-iodopropane is sourced from PubChem (CID 159910263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).