butylbenzene;iodozinc(1+)

C10H13IZn — CID 135085754

IUPACbutylbenzene;iodozinc(1+)
SMILESC[CH-]CCc1ccccc1.[Zn+]I
InChIInChI=1S/C10H13.HI.Zn/c1-2-3-7-10-8-5-4-6-9-10;;/h2,4-6,8-9H,3,7H2,1H3;1H;/q-1;;+2/p-1
InChIKeyZGRSCOGNRZSFDZ-UHFFFAOYSA-M
MW325.51 g/mol
LogP3.73
Rot. Bonds3

About butylbenzene;iodozinc(1+)

butylbenzene;iodozinc(1+) (PubChem CID 135085754) has the molecular formula C10H13IZn and a molecular weight of 325.51 g/mol. Its IUPAC name is butylbenzene;iodozinc(1+).

Molecular Properties

Compound Namebutylbenzene;iodozinc(1+)
PubChem CID135085754
Molecular FormulaC10H13IZn
Molecular Weight325.51 g/mol
Exact Mass323.94
IUPAC Namebutylbenzene;iodozinc(1+)
SMILESC[CH-]CCc1ccccc1.[Zn+]I
InChIInChI=1S/C10H13.HI.Zn/c1-2-3-7-10-8-5-4-6-9-10;;/h2,4-6,8-9H,3,7H2,1H3;1H;/q-1;;+2/p-1
InChIKeyZGRSCOGNRZSFDZ-UHFFFAOYSA-M
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

4-phenylbutylbenzene
CID 141301927
benzene;2-phenylethylbenzene
CID 18982764
hafnium;4-phenylbutylbenzene
CID 175889972
1,4-bis(3-phenylpropyl)benzene
CID 59467322
methane;4-phenylbutylbenzene
CID 173386802
ethane;methane;2-phenylethylbenzene
CID 158652330
CID 159131095
CID 159131095
zinc propylbenzene
CID 562413
hafnium;2-phenylethylbenzene
CID 173109801
2-iodoethylbenzene;zinc
CID 70126598
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
pentylbenzene;trifluoroalumane
CID 175083479

Frequently Asked Questions

What is the IUPAC name of butylbenzene;iodozinc(1+)?
The IUPAC name of butylbenzene;iodozinc(1+) (CID 135085754) is butylbenzene;iodozinc(1+).
What is the SMILES notation for butylbenzene;iodozinc(1+)?
The canonical SMILES for butylbenzene;iodozinc(1+) is C[CH-]CCc1ccccc1.[Zn+]I.
What is the InChIKey of butylbenzene;iodozinc(1+)?
The InChIKey is ZGRSCOGNRZSFDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13.HI.Zn/c1-2-3-7-10-8-5-4-6-9-10;;/h2,4-6,8-9H,3,7H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of butylbenzene;iodozinc(1+)?
butylbenzene;iodozinc(1+) has a molecular weight of 325.51 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butylbenzene;iodozinc(1+) is sourced from PubChem (CID 135085754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).