2-ethylhexyl propyliodanuidylformate

C12H24IO2- — CID 156903380

IUPAC2-ethylhexyl propyliodanuidylformate
SMILESCCCCC(CC)COC(=O)[I-]CCC
InChIInChI=1S/C12H24IO2/c1-4-7-8-11(6-3)10-15-12(14)13-9-5-2/h11H,4-10H2,1-3H3/q-1
InChIKeyRWCFAIOSNGUJFP-UHFFFAOYSA-N
MW327.23 g/mol
LogP0.84
Rot. Bonds9

About 2-ethylhexyl propyliodanuidylformate

2-ethylhexyl propyliodanuidylformate (PubChem CID 156903380) has the molecular formula C12H24IO2- and a molecular weight of 327.23 g/mol. Its IUPAC name is 2-ethylhexyl propyliodanuidylformate.

Molecular Properties

Compound Name2-ethylhexyl propyliodanuidylformate
PubChem CID156903380
Molecular FormulaC12H24IO2-
Molecular Weight327.23 g/mol
Exact Mass327.08
IUPAC Name2-ethylhexyl propyliodanuidylformate
SMILESCCCCC(CC)COC(=O)[I-]CCC
InChIInChI=1S/C12H24IO2/c1-4-7-8-11(6-3)10-15-12(14)13-9-5-2/h11H,4-10H2,1-3H3/q-1
InChIKeyRWCFAIOSNGUJFP-UHFFFAOYSA-N
XLogP0.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
ethyl 2-ethylhexyl carbonate
CID 54194012
2-ethylhexyl 4-amino-4-oxobut-2-enoate
CID 54105365
[(2S)-2-ethylhexyl] prop-2-enoate
CID 6994086
2-ethylhexyl 2-aminohexanoate
CID 61303871
acetic acid;2-ethylhexyl acetate
CID 159619780
2-ethylhexyl (2S)-2-aminohexanoate
CID 107145199
bis(2-ethylhexyl propanoate);hydroxylamine
CID 88651509
2-ethylhexyl 2-methylbutanoate
CID 3023949
2-ethylhexyl pentadecyl carbonate
CID 91693131
bis(2-ethylhexyl) nonanedioate
CID 7642

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl propyliodanuidylformate?
The IUPAC name of 2-ethylhexyl propyliodanuidylformate (CID 156903380) is 2-ethylhexyl propyliodanuidylformate.
What is the SMILES notation for 2-ethylhexyl propyliodanuidylformate?
The canonical SMILES for 2-ethylhexyl propyliodanuidylformate is CCCCC(CC)COC(=O)[I-]CCC.
What is the InChIKey of 2-ethylhexyl propyliodanuidylformate?
The InChIKey is RWCFAIOSNGUJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24IO2/c1-4-7-8-11(6-3)10-15-12(14)13-9-5-2/h11H,4-10H2,1-3H3/q-1.
What are the key properties of 2-ethylhexyl propyliodanuidylformate?
2-ethylhexyl propyliodanuidylformate has a molecular weight of 327.23 g/mol, XLogP of 0.84, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl propyliodanuidylformate is sourced from PubChem (CID 156903380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).