(Z,2S)-5-iodo-4-methylpent-4-ene-1,2-diol

C6H11IO2 — CID 11149183

IUPAC(Z,2S)-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-/m0/s1
InChIKeyQLQNUZMXCHCJMC-LMXCLXGDSA-N
MW242.06 g/mol
LogP1.07
Rot. Bonds3

About (Z,2S)-5-iodo-4-methylpent-4-ene-1,2-diol

(Z,2S)-5-iodo-4-methylpent-4-ene-1,2-diol (PubChem CID 11149183) has the molecular formula C6H11IO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is (Z,2S)-5-iodo-4-methylpent-4-ene-1,2-diol.

Molecular Properties

Compound Name(Z,2S)-5-iodo-4-methylpent-4-ene-1,2-diol
PubChem CID11149183
Molecular FormulaC6H11IO2
Molecular Weight242.06 g/mol
Exact Mass241.98
IUPAC Name(Z,2S)-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-/m0/s1
InChIKeyQLQNUZMXCHCJMC-LMXCLXGDSA-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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Frequently Asked Questions

What is the IUPAC name of (Z,2S)-5-iodo-4-methylpent-4-ene-1,2-diol?
The IUPAC name of (Z,2S)-5-iodo-4-methylpent-4-ene-1,2-diol (CID 11149183) is (Z,2S)-5-iodo-4-methylpent-4-ene-1,2-diol.
What is the SMILES notation for (Z,2S)-5-iodo-4-methylpent-4-ene-1,2-diol?
The canonical SMILES for (Z,2S)-5-iodo-4-methylpent-4-ene-1,2-diol is C/C(=C/I)C[C@H](O)CO.
What is the InChIKey of (Z,2S)-5-iodo-4-methylpent-4-ene-1,2-diol?
The InChIKey is QLQNUZMXCHCJMC-LMXCLXGDSA-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-/m0/s1.
What are the key properties of (Z,2S)-5-iodo-4-methylpent-4-ene-1,2-diol?
(Z,2S)-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 (Z,2S)-5-iodo-4-methylpent-4-ene-1,2-diol is sourced from PubChem (CID 11149183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).