1-iododecyl hydrogen sulfite

C10H21IO3S — CID 175160280

IUPAC1-iododecyl hydrogen sulfite
SMILESCCCCCCCCCC(I)OS(=O)O
InChIInChI=1S/C10H21IO3S/c1-2-3-4-5-6-7-8-9-10(11)14-15(12)13/h10H,2-9H2,1H3,(H,12,13)
InChIKeyGLEHTAATEJMXMJ-UHFFFAOYSA-N
MW348.25 g/mol
LogP4.04
Rot. Bonds10

About 1-iododecyl hydrogen sulfite

1-iododecyl hydrogen sulfite (PubChem CID 175160280) has the molecular formula C10H21IO3S and a molecular weight of 348.25 g/mol. Its IUPAC name is 1-iododecyl hydrogen sulfite.

Molecular Properties

Compound Name1-iododecyl hydrogen sulfite
PubChem CID175160280
Molecular FormulaC10H21IO3S
Molecular Weight348.25 g/mol
Exact Mass348.03
IUPAC Name1-iododecyl hydrogen sulfite
SMILESCCCCCCCCCC(I)OS(=O)O
InChIInChI=1S/C10H21IO3S/c1-2-3-4-5-6-7-8-9-10(11)14-15(12)13/h10H,2-9H2,1H3,(H,12,13)
InChIKeyGLEHTAATEJMXMJ-UHFFFAOYSA-N
XLogP4.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

octan-2-yl hydrogen sulfite
CID 57307122
heptan-2-yl hydrogen sulfite
CID 87282847
bis(1-iodoheptadecyl) carbonate
CID 165175402
1-iododecyl acetate
CID 155063034
1-iodo-1-(1-iodohexoxy)hexane
CID 87803004
1-iodooctyl nitrate
CID 87604424
1-cyclohexyloctan-2-yl hydrogen sulfite
CID 176893833
1-iodotridecyl prop-2-enoate
CID 90218413
decane-4-sulfinic acid
CID 57421684
1-iodoundecoxy(trimethyl)silane
CID 22215334
bromo 2-iodooctanoate
CID 174726044
1-iodohexacosan-1-ol
CID 87167039

Frequently Asked Questions

What is the IUPAC name of 1-iododecyl hydrogen sulfite?
The IUPAC name of 1-iododecyl hydrogen sulfite (CID 175160280) is 1-iododecyl hydrogen sulfite.
What is the SMILES notation for 1-iododecyl hydrogen sulfite?
The canonical SMILES for 1-iododecyl hydrogen sulfite is CCCCCCCCCC(I)OS(=O)O.
What is the InChIKey of 1-iododecyl hydrogen sulfite?
The InChIKey is GLEHTAATEJMXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21IO3S/c1-2-3-4-5-6-7-8-9-10(11)14-15(12)13/h10H,2-9H2,1H3,(H,12,13).
What are the key properties of 1-iododecyl hydrogen sulfite?
1-iododecyl hydrogen sulfite has a molecular weight of 348.25 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iododecyl hydrogen sulfite is sourced from PubChem (CID 175160280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).