(E,2R)-5-iodo-4-methylpent-4-ene-1,2-diol

C6H11IO2 — CID 11851117

IUPAC(E,2R)-5-iodo-4-methylpent-4-ene-1,2-diol
SMILESC/C(=C\I)C[C@@H](O)CO
InChIInChI=1S/C6H11IO2/c1-5(3-7)2-6(9)4-8/h3,6,8-9H,2,4H2,1H3/b5-3+/t6-/m1/s1
InChIKeyQLQNUZMXCHCJMC-MXTDHUQFSA-N
MW242.06 g/mol
LogP1.07
Rot. Bonds3

About (E,2R)-5-iodo-4-methylpent-4-ene-1,2-diol

(E,2R)-5-iodo-4-methylpent-4-ene-1,2-diol (PubChem CID 11851117) has the molecular formula C6H11IO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is (E,2R)-5-iodo-4-methylpent-4-ene-1,2-diol.

Molecular Properties

Compound Name(E,2R)-5-iodo-4-methylpent-4-ene-1,2-diol
PubChem CID11851117
Molecular FormulaC6H11IO2
Molecular Weight242.06 g/mol
Exact Mass241.98
IUPAC Name(E,2R)-5-iodo-4-methylpent-4-ene-1,2-diol
SMILESC/C(=C\I)C[C@@H](O)CO
InChIInChI=1S/C6H11IO2/c1-5(3-7)2-6(9)4-8/h3,6,8-9H,2,4H2,1H3/b5-3+/t6-/m1/s1
InChIKeyQLQNUZMXCHCJMC-MXTDHUQFSA-N
XLogP1.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z,2S)-5-iodo-4-methylpent-4-ene-1,2-diol
CID 11149183
(E)-1-iodo-2,4-dimethylpent-1-ene
CID 58173205
(6S)-6,7-dihydroxyheptane-3,4-dione
CID 58618706
(E,4S)-1,6-diiodo-2,4-dimethylhex-1-ene
CID 10666442
4,5-dihydroxypentan-2-one;ethane-1,2-diol;propan-2-one
CID 87707653
acetic acid;propane-1,2,3-triol;propan-2-one
CID 158983887
[(E,2S)-5-iodo-4-methylpent-4-en-2-yl] acetate
CID 11288623
3-amino-5,6-dihydroxy-2-methylhex-2-enamide
CID 175280437
3,4-dihydroxybutanoic acid;formic acid
CID 90280644
3,4-dihydroxy-N,N-dimethylbutanamide
CID 21025486
4-methylpentan-2-one;propane-1,2,3-triol
CID 88598058
1-iodoethanol;propane-1,2,3-triol
CID 175431347

Frequently Asked Questions

What is the IUPAC name of (E,2R)-5-iodo-4-methylpent-4-ene-1,2-diol?
The IUPAC name of (E,2R)-5-iodo-4-methylpent-4-ene-1,2-diol (CID 11851117) is (E,2R)-5-iodo-4-methylpent-4-ene-1,2-diol.
What is the SMILES notation for (E,2R)-5-iodo-4-methylpent-4-ene-1,2-diol?
The canonical SMILES for (E,2R)-5-iodo-4-methylpent-4-ene-1,2-diol is C/C(=C\I)C[C@@H](O)CO.
What is the InChIKey of (E,2R)-5-iodo-4-methylpent-4-ene-1,2-diol?
The InChIKey is QLQNUZMXCHCJMC-MXTDHUQFSA-N. The full InChI is InChI=1S/C6H11IO2/c1-5(3-7)2-6(9)4-8/h3,6,8-9H,2,4H2,1H3/b5-3+/t6-/m1/s1.
What are the key properties of (E,2R)-5-iodo-4-methylpent-4-ene-1,2-diol?
(E,2R)-5-iodo-4-methylpent-4-ene-1,2-diol has a molecular weight of 242.06 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-5-iodo-4-methylpent-4-ene-1,2-diol is sourced from PubChem (CID 11851117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).