butane;cyclooctane;molecular iodine;nonane

C21H46I2 — CID 162136863

IUPACbutane;cyclooctane;molecular iodine;nonane
SMILESC1CCCCCCC1.CCCC.CCCCCCCCC.II
InChIInChI=1S/C9H20.C8H16.C4H10.I2/c1-3-5-7-9-8-6-4-2;1-2-4-6-8-7-5-3-1;1-3-4-2;1-2/h3-9H2,1-2H3;1-8H2;3-4H2,1-2H3;
InChIKeyZJKGENPONKYQQB-UHFFFAOYSA-N
MW552.41 g/mol
LogP10.46
Rot. Bonds7

About butane;cyclooctane;molecular iodine;nonane

butane;cyclooctane;molecular iodine;nonane (PubChem CID 162136863) has the molecular formula C21H46I2 and a molecular weight of 552.41 g/mol. Its IUPAC name is butane;cyclooctane;molecular iodine;nonane.

Molecular Properties

Compound Namebutane;cyclooctane;molecular iodine;nonane
PubChem CID162136863
Molecular FormulaC21H46I2
Molecular Weight552.41 g/mol
Exact Mass552.17
IUPAC Namebutane;cyclooctane;molecular iodine;nonane
SMILESC1CCCCCCC1.CCCC.CCCCCCCCC.II
InChIInChI=1S/C9H20.C8H16.C4H10.I2/c1-3-5-7-9-8-6-4-2;1-2-4-6-8-7-5-3-1;1-3-4-2;1-2/h3-9H2,1-2H3;1-8H2;3-4H2,1-2H3;
InChIKeyZJKGENPONKYQQB-UHFFFAOYSA-N
XLogP10.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.41
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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cyclopropane;icosane
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cyclobutane;ethane;hexane
CID 143857678
alumane;cyclohexane;hexane
CID 175455201
cyclobutane;ethane;hexane;propane
CID 142383161
heptadecane;hydrazine
CID 174880698
butane;pentakis(heptane);methane
CID 160660769
butane;ethane;heptane
CID 143121250
hydrazine;pentadecane
CID 174880620
iodomethane;octadecane
CID 174964097
CID 161246447
CID 161246447
hexadecane;pentadecane
CID 159687875

Frequently Asked Questions

What is the IUPAC name of butane;cyclooctane;molecular iodine;nonane?
The IUPAC name of butane;cyclooctane;molecular iodine;nonane (CID 162136863) is butane;cyclooctane;molecular iodine;nonane.
What is the SMILES notation for butane;cyclooctane;molecular iodine;nonane?
The canonical SMILES for butane;cyclooctane;molecular iodine;nonane is C1CCCCCCC1.CCCC.CCCCCCCCC.II.
What is the InChIKey of butane;cyclooctane;molecular iodine;nonane?
The InChIKey is ZJKGENPONKYQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C8H16.C4H10.I2/c1-3-5-7-9-8-6-4-2;1-2-4-6-8-7-5-3-1;1-3-4-2;1-2/h3-9H2,1-2H3;1-8H2;3-4H2,1-2H3;.
What are the key properties of butane;cyclooctane;molecular iodine;nonane?
butane;cyclooctane;molecular iodine;nonane has a molecular weight of 552.41 g/mol, XLogP of 10.46, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;cyclooctane;molecular iodine;nonane is sourced from PubChem (CID 162136863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).