(2E,4E)-5-iodo-3-methylpenta-2,4-dien-1-ol

C6H9IO — CID 14991226

IUPAC(2E,4E)-5-iodo-3-methylpenta-2,4-dien-1-ol
SMILESCC(/C=C/I)=C\CO
InChIInChI=1S/C6H9IO/c1-6(2-4-7)3-5-8/h2-4,8H,5H2,1H3/b4-2+,6-3+
InChIKeyJKVJZHMYWQBFAC-PIXFVPMGSA-N
MW224.04 g/mol
LogP1.87
Rot. Bonds2

About (2E,4E)-5-iodo-3-methylpenta-2,4-dien-1-ol

(2E,4E)-5-iodo-3-methylpenta-2,4-dien-1-ol (PubChem CID 14991226) has the molecular formula C6H9IO and a molecular weight of 224.04 g/mol. Its IUPAC name is (2E,4E)-5-iodo-3-methylpenta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-5-iodo-3-methylpenta-2,4-dien-1-ol
PubChem CID14991226
Molecular FormulaC6H9IO
Molecular Weight224.04 g/mol
Exact Mass223.97
IUPAC Name(2E,4E)-5-iodo-3-methylpenta-2,4-dien-1-ol
SMILESCC(/C=C/I)=C\CO
InChIInChI=1S/C6H9IO/c1-6(2-4-7)3-5-8/h2-4,8H,5H2,1H3/b4-2+,6-3+
InChIKeyJKVJZHMYWQBFAC-PIXFVPMGSA-N
XLogP1.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.04
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-iodo-3-methylpenta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-5-iodo-3-methylpenta-2,4-dien-1-ol (CID 14991226) is (2E,4E)-5-iodo-3-methylpenta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-5-iodo-3-methylpenta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-5-iodo-3-methylpenta-2,4-dien-1-ol is CC(/C=C/I)=C\CO.
What is the InChIKey of (2E,4E)-5-iodo-3-methylpenta-2,4-dien-1-ol?
The InChIKey is JKVJZHMYWQBFAC-PIXFVPMGSA-N. The full InChI is InChI=1S/C6H9IO/c1-6(2-4-7)3-5-8/h2-4,8H,5H2,1H3/b4-2+,6-3+.
What are the key properties of (2E,4E)-5-iodo-3-methylpenta-2,4-dien-1-ol?
(2E,4E)-5-iodo-3-methylpenta-2,4-dien-1-ol has a molecular weight of 224.04 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-iodo-3-methylpenta-2,4-dien-1-ol is sourced from PubChem (CID 14991226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).