(E)-4-iodo-3-methylbut-3-en-1-ol

C5H9IO — CID 6443116

IUPAC(E)-4-iodo-3-methylbut-3-en-1-ol
SMILESC/C(=C\I)CCO
InChIInChI=1S/C5H9IO/c1-5(4-6)2-3-7/h4,7H,2-3H2,1H3/b5-4+
InChIKeySDIDNVVHRWFXCW-SNAWJCMRSA-N
MW212.03 g/mol
LogP1.71
Rot. Bonds2

About (E)-4-iodo-3-methylbut-3-en-1-ol

(E)-4-iodo-3-methylbut-3-en-1-ol (PubChem CID 6443116) has the molecular formula C5H9IO and a molecular weight of 212.03 g/mol. Its IUPAC name is (E)-4-iodo-3-methylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-iodo-3-methylbut-3-en-1-ol
PubChem CID6443116
Molecular FormulaC5H9IO
Molecular Weight212.03 g/mol
Exact Mass211.97
IUPAC Name(E)-4-iodo-3-methylbut-3-en-1-ol
SMILESC/C(=C\I)CCO
InChIInChI=1S/C5H9IO/c1-5(4-6)2-3-7/h4,7H,2-3H2,1H3/b5-4+
InChIKeySDIDNVVHRWFXCW-SNAWJCMRSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 51.71
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-iodo-3-methylbut-3-en-1-ol?
The IUPAC name of (E)-4-iodo-3-methylbut-3-en-1-ol (CID 6443116) is (E)-4-iodo-3-methylbut-3-en-1-ol.
What is the SMILES notation for (E)-4-iodo-3-methylbut-3-en-1-ol?
The canonical SMILES for (E)-4-iodo-3-methylbut-3-en-1-ol is C/C(=C\I)CCO.
What is the InChIKey of (E)-4-iodo-3-methylbut-3-en-1-ol?
The InChIKey is SDIDNVVHRWFXCW-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H9IO/c1-5(4-6)2-3-7/h4,7H,2-3H2,1H3/b5-4+.
What are the key properties of (E)-4-iodo-3-methylbut-3-en-1-ol?
(E)-4-iodo-3-methylbut-3-en-1-ol has a molecular weight of 212.03 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-iodo-3-methylbut-3-en-1-ol is sourced from PubChem (CID 6443116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).