zinc;ethylbenzene;oxolane;iodide

C12H17IOZn — CID 158337980

IUPACzinc;ethylbenzene;oxolane;iodide
SMILESC1CCOC1.CCc1[c-]cccc1.[I-].[Zn+2]
InChIInChI=1S/C8H9.C4H8O.HI.Zn/c1-2-8-6-4-3-5-7-8;1-2-4-5-3-1;;/h3-6H,2H2,1H3;1-4H2;1H;/q-1;;;+2/p-1
InChIKeyGAEDOSNCGWPBKB-UHFFFAOYSA-M
MW369.56 g/mol
LogP-0.15
Rot. Bonds1

About zinc;ethylbenzene;oxolane;iodide

zinc;ethylbenzene;oxolane;iodide (PubChem CID 158337980) has the molecular formula C12H17IOZn and a molecular weight of 369.56 g/mol. Its IUPAC name is zinc;ethylbenzene;oxolane;iodide.

Molecular Properties

Compound Namezinc;ethylbenzene;oxolane;iodide
PubChem CID158337980
Molecular FormulaC12H17IOZn
Molecular Weight369.56 g/mol
Exact Mass367.96
IUPAC Namezinc;ethylbenzene;oxolane;iodide
SMILESC1CCOC1.CCc1[c-]cccc1.[I-].[Zn+2]
InChIInChI=1S/C8H9.C4H8O.HI.Zn/c1-2-8-6-4-3-5-7-8;1-2-4-5-3-1;;/h3-6H,2H2,1H3;1-4H2;1H;/q-1;;;+2/p-1
InChIKeyGAEDOSNCGWPBKB-UHFFFAOYSA-M
XLogP-0.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.56
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Lithium 6-methylidenecyclohexa-2,4-dien-1-ide--oxolane (1/1/1)
CID 138397334
2-(2-Ethoxyethyl)cyclohexa-1,3-diene
CID 22312170
4-tert-butylphenyllithium THF
CID 86638313
(5E)-5-[(Z)-5-ethoxypent-2-enylidene]cyclohexa-1,3-diene
CID 88992531
Ethylbenzene;methoxyethane
CID 91414142
4-methylphenylmagnesium chloride THF
CID 131721815
o-Tolylmagnesium bromide tetrahydrofuran
CID 131728595
p-tolylmagnesiumbromide THF
CID 131731152
ethane;(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene
CID 142367342
(3Z)-7-ethoxy-5-methylidenehepta-1,3-diene
CID 142367343
ethane;1-[(E)-5-methoxypent-1-enyl]-3-methylcyclohexa-1,3-diene
CID 143867281
2-(2-Methoxyethyl)cyclohexa-1,3-diene;propane
CID 145235845

Frequently Asked Questions

What is the IUPAC name of zinc;ethylbenzene;oxolane;iodide?
The IUPAC name of zinc;ethylbenzene;oxolane;iodide (CID 158337980) is zinc;ethylbenzene;oxolane;iodide.
What is the SMILES notation for zinc;ethylbenzene;oxolane;iodide?
The canonical SMILES for zinc;ethylbenzene;oxolane;iodide is C1CCOC1.CCc1[c-]cccc1.[I-].[Zn+2].
What is the InChIKey of zinc;ethylbenzene;oxolane;iodide?
The InChIKey is GAEDOSNCGWPBKB-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9.C4H8O.HI.Zn/c1-2-8-6-4-3-5-7-8;1-2-4-5-3-1;;/h3-6H,2H2,1H3;1-4H2;1H;/q-1;;;+2/p-1.
What are the key properties of zinc;ethylbenzene;oxolane;iodide?
zinc;ethylbenzene;oxolane;iodide has a molecular weight of 369.56 g/mol, XLogP of -0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;ethylbenzene;oxolane;iodide is sourced from PubChem (CID 158337980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).