iodomethane;octadecane

C19H41I — CID 174964097

IUPACiodomethane;octadecane
SMILESCCCCCCCCCCCCCCCCCC.CI
InChIInChI=1S/C18H38.CH3I/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-2/h3-18H2,1-2H3;1H3
InChIKeyITULUSLTLPVRIK-UHFFFAOYSA-N
MW396.44 g/mol
LogP8.32
Rot. Bonds15

About iodomethane;octadecane

iodomethane;octadecane (PubChem CID 174964097) has the molecular formula C19H41I and a molecular weight of 396.44 g/mol. Its IUPAC name is iodomethane;octadecane.

Molecular Properties

Compound Nameiodomethane;octadecane
PubChem CID174964097
Molecular FormulaC19H41I
Molecular Weight396.44 g/mol
Exact Mass396.23
IUPAC Nameiodomethane;octadecane
SMILESCCCCCCCCCCCCCCCCCC.CI
InChIInChI=1S/C18H38.CH3I/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-2/h3-18H2,1-2H3;1H3
InChIKeyITULUSLTLPVRIK-UHFFFAOYSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.44
LogP ≤ 58.32
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

dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
heptahectane
CID 123338944
dopentacontahectane
CID 23391374

Frequently Asked Questions

What is the IUPAC name of iodomethane;octadecane?
The IUPAC name of iodomethane;octadecane (CID 174964097) is iodomethane;octadecane.
What is the SMILES notation for iodomethane;octadecane?
The canonical SMILES for iodomethane;octadecane is CCCCCCCCCCCCCCCCCC.CI.
What is the InChIKey of iodomethane;octadecane?
The InChIKey is ITULUSLTLPVRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38.CH3I/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-2/h3-18H2,1-2H3;1H3.
What are the key properties of iodomethane;octadecane?
iodomethane;octadecane has a molecular weight of 396.44 g/mol, XLogP of 8.32, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;octadecane is sourced from PubChem (CID 174964097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).