(E)-4-iodobut-3-en-1-ol

C4H7IO — CID 10821775

IUPAC(E)-4-iodobut-3-en-1-ol
SMILESOCC/C=C/I
InChIInChI=1S/C4H7IO/c5-3-1-2-4-6/h1,3,6H,2,4H2/b3-1+
InChIKeyNUCSHAXRRBHADF-HNQUOIGGSA-N
MW198.00 g/mol
LogP1.32
Rot. Bonds2

About (E)-4-iodobut-3-en-1-ol

(E)-4-iodobut-3-en-1-ol (PubChem CID 10821775) has the molecular formula C4H7IO and a molecular weight of 198.00 g/mol. Its IUPAC name is (E)-4-iodobut-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-iodobut-3-en-1-ol
PubChem CID10821775
Molecular FormulaC4H7IO
Molecular Weight198.00 g/mol
Exact Mass197.95
IUPAC Name(E)-4-iodobut-3-en-1-ol
SMILESOCC/C=C/I
InChIInChI=1S/C4H7IO/c5-3-1-2-4-6/h1,3,6H,2,4H2/b3-1+
InChIKeyNUCSHAXRRBHADF-HNQUOIGGSA-N
XLogP1.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.00
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-iodobut-3-en-1-ol?
The IUPAC name of (E)-4-iodobut-3-en-1-ol (CID 10821775) is (E)-4-iodobut-3-en-1-ol.
What is the SMILES notation for (E)-4-iodobut-3-en-1-ol?
The canonical SMILES for (E)-4-iodobut-3-en-1-ol is OCC/C=C/I.
What is the InChIKey of (E)-4-iodobut-3-en-1-ol?
The InChIKey is NUCSHAXRRBHADF-HNQUOIGGSA-N. The full InChI is InChI=1S/C4H7IO/c5-3-1-2-4-6/h1,3,6H,2,4H2/b3-1+.
What are the key properties of (E)-4-iodobut-3-en-1-ol?
(E)-4-iodobut-3-en-1-ol has a molecular weight of 198.00 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-iodobut-3-en-1-ol is sourced from PubChem (CID 10821775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).