(2Z)-3-iodohexa-2,5-dien-1-ol

C6H9IO — CID 101020716

IUPAC(2Z)-3-iodohexa-2,5-dien-1-ol
SMILESC=CC/C(I)=C/CO
InChIInChI=1S/C6H9IO/c1-2-3-6(7)4-5-8/h2,4,8H,1,3,5H2/b6-4-
InChIKeyWUYLJQRIBXQDGH-XQRVVYSFSA-N
MW224.04 g/mol
LogP1.87
Rot. Bonds3

About (2Z)-3-iodohexa-2,5-dien-1-ol

(2Z)-3-iodohexa-2,5-dien-1-ol (PubChem CID 101020716) has the molecular formula C6H9IO and a molecular weight of 224.04 g/mol. Its IUPAC name is (2Z)-3-iodohexa-2,5-dien-1-ol.

Molecular Properties

Compound Name(2Z)-3-iodohexa-2,5-dien-1-ol
PubChem CID101020716
Molecular FormulaC6H9IO
Molecular Weight224.04 g/mol
Exact Mass223.97
IUPAC Name(2Z)-3-iodohexa-2,5-dien-1-ol
SMILESC=CC/C(I)=C/CO
InChIInChI=1S/C6H9IO/c1-2-3-6(7)4-5-8/h2,4,8H,1,3,5H2/b6-4-
InChIKeyWUYLJQRIBXQDGH-XQRVVYSFSA-N
XLogP1.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2Z)-3-iodohexa-2,5-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-4-iodohexa-1,4-diene
CID 88547743
azane;3-prop-2-enylhexa-2,5-dien-1-ol;hydrochloride
CID 174886040
2-prop-2-enylbut-2-ene-1,4-diol
CID 88717764
prop-2-en-1-ol;stannane
CID 173011847
tris(prop-2-en-1-ol);titanium
CID 177430302
tetrakis(prop-2-en-1-ol);titanium
CID 87784373
alumane;prop-2-en-1-ol
CID 173215342
palladium;prop-2-en-1-ol
CID 174738177
(4Z)-6-iodo-4-methylhexa-1,4-diene
CID 89280235
(213C)pent-4-en-2-one
CID 173180315
(3Z)-4-methylhepta-3,6-dien-1-ol
CID 14691517
3-methylpenta-2,4-dien-1-ol
CID 534959

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-iodohexa-2,5-dien-1-ol?
The IUPAC name of (2Z)-3-iodohexa-2,5-dien-1-ol (CID 101020716) is (2Z)-3-iodohexa-2,5-dien-1-ol.
What is the SMILES notation for (2Z)-3-iodohexa-2,5-dien-1-ol?
The canonical SMILES for (2Z)-3-iodohexa-2,5-dien-1-ol is C=CC/C(I)=C/CO.
What is the InChIKey of (2Z)-3-iodohexa-2,5-dien-1-ol?
The InChIKey is WUYLJQRIBXQDGH-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H9IO/c1-2-3-6(7)4-5-8/h2,4,8H,1,3,5H2/b6-4-.
What are the key properties of (2Z)-3-iodohexa-2,5-dien-1-ol?
(2Z)-3-iodohexa-2,5-dien-1-ol has a molecular weight of 224.04 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-iodohexa-2,5-dien-1-ol is sourced from PubChem (CID 101020716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).