methyl (Z,4S)-4-hydroxy-6-iodohex-5-enoate

C7H11IO3 — CID 132934345

IUPACmethyl (Z,4S)-4-hydroxy-6-iodohex-5-enoate
SMILESCOC(=O)CC[C@H](O)/C=C\I
InChIInChI=1S/C7H11IO3/c1-11-7(10)3-2-6(9)4-5-8/h4-6,9H,2-3H2,1H3/b5-4-/t6-/m0/s1
InChIKeyMOONMJKNULWKBD-XSIKTDMUSA-N
MW270.07 g/mol
LogP1.25
Rot. Bonds4

About methyl (Z,4S)-4-hydroxy-6-iodohex-5-enoate

methyl (Z,4S)-4-hydroxy-6-iodohex-5-enoate (PubChem CID 132934345) has the molecular formula C7H11IO3 and a molecular weight of 270.07 g/mol. Its IUPAC name is methyl (Z,4S)-4-hydroxy-6-iodohex-5-enoate.

Molecular Properties

Compound Namemethyl (Z,4S)-4-hydroxy-6-iodohex-5-enoate
PubChem CID132934345
Molecular FormulaC7H11IO3
Molecular Weight270.07 g/mol
Exact Mass269.98
IUPAC Namemethyl (Z,4S)-4-hydroxy-6-iodohex-5-enoate
SMILESCOC(=O)CC[C@H](O)/C=C\I
InChIInChI=1S/C7H11IO3/c1-11-7(10)3-2-6(9)4-5-8/h4-6,9H,2-3H2,1H3/b5-4-/t6-/m0/s1
InChIKeyMOONMJKNULWKBD-XSIKTDMUSA-N
XLogP1.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.07
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z,4S)-4-hydroxy-6-iodohex-5-enoate?
The IUPAC name of methyl (Z,4S)-4-hydroxy-6-iodohex-5-enoate (CID 132934345) is methyl (Z,4S)-4-hydroxy-6-iodohex-5-enoate.
What is the SMILES notation for methyl (Z,4S)-4-hydroxy-6-iodohex-5-enoate?
The canonical SMILES for methyl (Z,4S)-4-hydroxy-6-iodohex-5-enoate is COC(=O)CC[C@H](O)/C=C\I.
What is the InChIKey of methyl (Z,4S)-4-hydroxy-6-iodohex-5-enoate?
The InChIKey is MOONMJKNULWKBD-XSIKTDMUSA-N. The full InChI is InChI=1S/C7H11IO3/c1-11-7(10)3-2-6(9)4-5-8/h4-6,9H,2-3H2,1H3/b5-4-/t6-/m0/s1.
What are the key properties of methyl (Z,4S)-4-hydroxy-6-iodohex-5-enoate?
methyl (Z,4S)-4-hydroxy-6-iodohex-5-enoate has a molecular weight of 270.07 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,4S)-4-hydroxy-6-iodohex-5-enoate is sourced from PubChem (CID 132934345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).