(E)-1,2,3-triiodopent-1-en-1-ol

C5H7I3O — CID 118275868

IUPAC(E)-1,2,3-triiodopent-1-en-1-ol
SMILESCCC(I)/C(I)=C(/O)I
InChIInChI=1S/C5H7I3O/c1-2-3(6)4(7)5(8)9/h3,9H,2H2,1H3/b5-4-
InChIKeyZFWPXUSOVOLYKA-PLNGDYQASA-N
MW463.82 g/mol
LogP3.80
Rot. Bonds2

About (E)-1,2,3-triiodopent-1-en-1-ol

(E)-1,2,3-triiodopent-1-en-1-ol (PubChem CID 118275868) has the molecular formula C5H7I3O and a molecular weight of 463.82 g/mol. Its IUPAC name is (E)-1,2,3-triiodopent-1-en-1-ol.

Molecular Properties

Compound Name(E)-1,2,3-triiodopent-1-en-1-ol
PubChem CID118275868
Molecular FormulaC5H7I3O
Molecular Weight463.82 g/mol
Exact Mass463.76
IUPAC Name(E)-1,2,3-triiodopent-1-en-1-ol
SMILESCCC(I)/C(I)=C(/O)I
InChIInChI=1S/C5H7I3O/c1-2-3(6)4(7)5(8)9/h3,9H,2H2,1H3/b5-4-
InChIKeyZFWPXUSOVOLYKA-PLNGDYQASA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.82
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-iodo-1-phosphanylbutan-1-imine
CID 163498821
molecular iodine;propane-1,1-diol
CID 141479363
CID 123134376
CID 123134376
CID 87086045
CID 87086045
(3S,4R)-4-iodohexan-3-ol
CID 101027054
2-iodopropyl carbonofluoridate
CID 118465559
hydrogen peroxide;propane
CID 18348147
2-iodo-N-pentan-2-ylbutanamide
CID 149238445
1-iodopropylphosphane;hydroiodide
CID 173025717
1-iodopropylcarbamic acid;hydroiodide
CID 88765505
4-ethylidene-3-methyloctane
CID 90798217
magnesium;bis(2-ethylbutanoic acid);hydride
CID 174895693

Frequently Asked Questions

What is the IUPAC name of (E)-1,2,3-triiodopent-1-en-1-ol?
The IUPAC name of (E)-1,2,3-triiodopent-1-en-1-ol (CID 118275868) is (E)-1,2,3-triiodopent-1-en-1-ol.
What is the SMILES notation for (E)-1,2,3-triiodopent-1-en-1-ol?
The canonical SMILES for (E)-1,2,3-triiodopent-1-en-1-ol is CCC(I)/C(I)=C(/O)I.
What is the InChIKey of (E)-1,2,3-triiodopent-1-en-1-ol?
The InChIKey is ZFWPXUSOVOLYKA-PLNGDYQASA-N. The full InChI is InChI=1S/C5H7I3O/c1-2-3(6)4(7)5(8)9/h3,9H,2H2,1H3/b5-4-.
What are the key properties of (E)-1,2,3-triiodopent-1-en-1-ol?
(E)-1,2,3-triiodopent-1-en-1-ol has a molecular weight of 463.82 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2,3-triiodopent-1-en-1-ol is sourced from PubChem (CID 118275868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).