[(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium

C14H18IO2+ — CID 134877789

IUPAC[(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium
SMILESC/C(=C/[I+]c1ccccc1)OC(=O)C(C)(C)C
InChIInChI=1S/C14H18IO2/c1-11(17-13(16)14(2,3)4)10-15-12-8-6-5-7-9-12/h5-10H,1-4H3/q+1/b11-10-
InChIKeyDIUCLMBNLPCBON-KHPPLWFESA-N
MW345.20 g/mol
LogP0.40
Rot. Bonds3

About [(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium

[(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium (PubChem CID 134877789) has the molecular formula C14H18IO2+ and a molecular weight of 345.20 g/mol. Its IUPAC name is [(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium.

Molecular Properties

Compound Name[(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium
PubChem CID134877789
Molecular FormulaC14H18IO2+
Molecular Weight345.20 g/mol
Exact Mass345.03
IUPAC Name[(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium
SMILESC/C(=C/[I+]c1ccccc1)OC(=O)C(C)(C)C
InChIInChI=1S/C14H18IO2/c1-11(17-13(16)14(2,3)4)10-15-12-8-6-5-7-9-12/h5-10H,1-4H3/q+1/b11-10-
InChIKeyDIUCLMBNLPCBON-KHPPLWFESA-N
XLogP0.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[(Z)-2-chloro-3,3-dimethylbut-1-enyl]-phenyliodanium
CID 10763951
[(E)-3-cyclopentyl-2-methyl-3-oxoprop-1-enyl]-phenyliodanium
CID 14196223
phenyl-[(E)-2-phenylprop-1-enyl]iodanium
CID 12014626
[(1E,3Z)-2-methyl-1-[(1S)-1-phenylethoxy]penta-1,3-dien-3-yl] 2,2-dimethylpropanoate
CID 44552071
[1-(2,2-diphenylcyclopropyl)-2-methylprop-1-enyl] 2,2-dimethylpropanoate
CID 135068975
[(E)-1,2-bis(2,6-dimethylphenyl)-2-(2,2-dimethylpropanoyloxy)ethenyl] 2,2-dimethylpropanoate
CID 122517200
3-[methyl(diphenyl)silyl]propanoyl 2,2-dimethylpropanoate
CID 10021049
[(1Z)-1-[2-[methyl(diphenyl)silyl]cyclohexylidene]ethyl] 2,2-dimethylpropanoate
CID 101449535
diphenylphosphinoselenoyl 2,2-dimethylpropanoate
CID 102161033
1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one
CID 14925845
CID 132534450
CID 132534450
[1-[(1R,2S)-2-acetyloxy-2-phenylcyclopropyl]-2-methylprop-1-enyl] 2,2-dimethylpropanoate
CID 54763763

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium?
The IUPAC name of [(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium (CID 134877789) is [(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium.
What is the SMILES notation for [(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium?
The canonical SMILES for [(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium is C/C(=C/[I+]c1ccccc1)OC(=O)C(C)(C)C.
What is the InChIKey of [(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium?
The InChIKey is DIUCLMBNLPCBON-KHPPLWFESA-N. The full InChI is InChI=1S/C14H18IO2/c1-11(17-13(16)14(2,3)4)10-15-12-8-6-5-7-9-12/h5-10H,1-4H3/q+1/b11-10-.
What are the key properties of [(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium?
[(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium has a molecular weight of 345.20 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium is sourced from PubChem (CID 134877789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).