zinc;(2R,4R)-4-(cyclohexen-1-yloxy)pentan-2-olate;iodide

C11H19IO2Zn — CID 100937759

IUPACzinc;(2R,4R)-4-(cyclohexen-1-yloxy)pentan-2-olate;iodide
SMILESC[C@H](C[C@@H](C)[O-])OC1=CCCCC1.[I-].[Zn+2]
InChIInChI=1S/C11H19O2.HI.Zn/c1-9(12)8-10(2)13-11-6-4-3-5-7-11;;/h6,9-10H,3-5,7-8H2,1-2H3;1H;/q-1;;+2/p-1/t9-,10-;;/m1../s1
InChIKeyAYWZZRGKQJXLDG-HSTMFJOWSA-M
MW375.57 g/mol
LogP-1.01
Rot. Bonds4

About zinc;(2R,4R)-4-(cyclohexen-1-yloxy)pentan-2-olate;iodide

zinc;(2R,4R)-4-(cyclohexen-1-yloxy)pentan-2-olate;iodide (PubChem CID 100937759) has the molecular formula C11H19IO2Zn and a molecular weight of 375.57 g/mol. Its IUPAC name is zinc;(2R,4R)-4-(cyclohexen-1-yloxy)pentan-2-olate;iodide.

Molecular Properties

Compound Namezinc;(2R,4R)-4-(cyclohexen-1-yloxy)pentan-2-olate;iodide
PubChem CID100937759
Molecular FormulaC11H19IO2Zn
Molecular Weight375.57 g/mol
Exact Mass373.97
IUPAC Namezinc;(2R,4R)-4-(cyclohexen-1-yloxy)pentan-2-olate;iodide
SMILESC[C@H](C[C@@H](C)[O-])OC1=CCCCC1.[I-].[Zn+2]
InChIInChI=1S/C11H19O2.HI.Zn/c1-9(12)8-10(2)13-11-6-4-3-5-7-11;;/h6,9-10H,3-5,7-8H2,1-2H3;1H;/q-1;;+2/p-1/t9-,10-;;/m1../s1
InChIKeyAYWZZRGKQJXLDG-HSTMFJOWSA-M
XLogP-1.01
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.57
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc;(2R,4R)-4-(cyclohexen-1-yloxy)pentan-2-olate;iodide?
The IUPAC name of zinc;(2R,4R)-4-(cyclohexen-1-yloxy)pentan-2-olate;iodide (CID 100937759) is zinc;(2R,4R)-4-(cyclohexen-1-yloxy)pentan-2-olate;iodide.
What is the SMILES notation for zinc;(2R,4R)-4-(cyclohexen-1-yloxy)pentan-2-olate;iodide?
The canonical SMILES for zinc;(2R,4R)-4-(cyclohexen-1-yloxy)pentan-2-olate;iodide is C[C@H](C[C@@H](C)[O-])OC1=CCCCC1.[I-].[Zn+2].
What is the InChIKey of zinc;(2R,4R)-4-(cyclohexen-1-yloxy)pentan-2-olate;iodide?
The InChIKey is AYWZZRGKQJXLDG-HSTMFJOWSA-M. The full InChI is InChI=1S/C11H19O2.HI.Zn/c1-9(12)8-10(2)13-11-6-4-3-5-7-11;;/h6,9-10H,3-5,7-8H2,1-2H3;1H;/q-1;;+2/p-1/t9-,10-;;/m1../s1.
What are the key properties of zinc;(2R,4R)-4-(cyclohexen-1-yloxy)pentan-2-olate;iodide?
zinc;(2R,4R)-4-(cyclohexen-1-yloxy)pentan-2-olate;iodide has a molecular weight of 375.57 g/mol, XLogP of -1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;(2R,4R)-4-(cyclohexen-1-yloxy)pentan-2-olate;iodide is sourced from PubChem (CID 100937759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).