10,10-diiodononadecane

C19H38I2 — CID 154405241

IUPAC10,10-diiodononadecane
SMILESCCCCCCCCCC(I)(I)CCCCCCCCC
InChIInChI=1S/C19H38I2/c1-3-5-7-9-11-13-15-17-19(20,21)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKeyHRWIGAUSSHDUJP-UHFFFAOYSA-N
MW520.32 g/mol
LogP8.83
Rot. Bonds16

About 10,10-diiodononadecane

10,10-diiodononadecane (PubChem CID 154405241) has the molecular formula C19H38I2 and a molecular weight of 520.32 g/mol. Its IUPAC name is 10,10-diiodononadecane.

Molecular Properties

Compound Name10,10-diiodononadecane
PubChem CID154405241
Molecular FormulaC19H38I2
Molecular Weight520.32 g/mol
Exact Mass520.11
IUPAC Name10,10-diiodononadecane
SMILESCCCCCCCCCC(I)(I)CCCCCCCCC
InChIInChI=1S/C19H38I2/c1-3-5-7-9-11-13-15-17-19(20,21)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKeyHRWIGAUSSHDUJP-UHFFFAOYSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.32
LogP ≤ 58.83
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

4,4-diiodo-2-methyltridecane
CID 150045572
2-iodo-2-methylnonane
CID 12714355
silane;1,1,1-triiodooctadecane
CID 173345600
1,1-diiododecan-1-ol
CID 118276104
6,6-dipentylpentadecane
CID 152650171
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
9,9-dioctyloctadecane
CID 19690418
8-hexyl-8-pentylhexadecane
CID 521602
calcium;hydride;octane
CID 173403164
iodomethane;octadecane
CID 174964097
16,16,21,21-tetramethylhexatriacontane
CID 174880889
11-methyl-11-nonylhenicosane
CID 19690388

Frequently Asked Questions

What is the IUPAC name of 10,10-diiodononadecane?
The IUPAC name of 10,10-diiodononadecane (CID 154405241) is 10,10-diiodononadecane.
What is the SMILES notation for 10,10-diiodononadecane?
The canonical SMILES for 10,10-diiodononadecane is CCCCCCCCCC(I)(I)CCCCCCCCC.
What is the InChIKey of 10,10-diiodononadecane?
The InChIKey is HRWIGAUSSHDUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38I2/c1-3-5-7-9-11-13-15-17-19(20,21)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3.
What are the key properties of 10,10-diiodononadecane?
10,10-diiodononadecane has a molecular weight of 520.32 g/mol, XLogP of 8.83, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-diiodononadecane is sourced from PubChem (CID 154405241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).