6-[(E)-3-iodoprop-2-enyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

C14H19IO — CID 22466510

IUPAC6-[(E)-3-iodoprop-2-enyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1CC=C(C)C(=O)C1(C)C/C=C/I
InChIInChI=1S/C14H19IO/c1-10(2)12-7-6-11(3)13(16)14(12,4)8-5-9-15/h5-6,9,12H,1,7-8H2,2-4H3/b9-5+
InChIKeyVGPVPXHZSULHGQ-WEVVVXLNSA-N
MW330.21 g/mol
LogP4.44
Rot. Bonds3

About 6-[(E)-3-iodoprop-2-enyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

6-[(E)-3-iodoprop-2-enyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 22466510) has the molecular formula C14H19IO and a molecular weight of 330.21 g/mol. Its IUPAC name is 6-[(E)-3-iodoprop-2-enyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-[(E)-3-iodoprop-2-enyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
PubChem CID22466510
Molecular FormulaC14H19IO
Molecular Weight330.21 g/mol
Exact Mass330.05
IUPAC Name6-[(E)-3-iodoprop-2-enyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1CC=C(C)C(=O)C1(C)C/C=C/I
InChIInChI=1S/C14H19IO/c1-10(2)12-7-6-11(3)13(16)14(12,4)8-5-9-15/h5-6,9,12H,1,7-8H2,2-4H3/b9-5+
InChIKeyVGPVPXHZSULHGQ-WEVVVXLNSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-[(E)-3-iodoprop-2-enyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

(Z)-5-[(1R,6R)-1,3-dimethyl-2-oxo-6-prop-1-en-2-ylcyclohex-3-en-1-yl]-2-methylpent-2-enal
CID 10611389
2-methyl-6-(2-oxobut-3-enyl)-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 138606935
(5R)-2-methyl-6-(2-oxobut-3-enyl)-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 138606938
6-(hydroxymethyl)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 71390243
2,6,6-trimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 130145587
(5R,6R)-6-(methoxymethoxy)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 129365391
4,7,9-trimethyl-1-prop-1-en-2-ylspiro[4.5]dec-3-en-8-one
CID 154157892
[(4R,5R)-5-ethenyl-5-methyl-4-prop-1-en-2-ylcyclohexen-1-yl] acetate
CID 11074921
(5R,6R)-2-methyl-6-[(1S)-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 139125944
cobalt;2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one;nickel
CID 87784204
3-diazo-1-[(1R,5R,6S)-1,2,6-trimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]butan-2-one
CID 101080733
2,2-dimethyl-3-prop-1-en-2-ylcyclohexan-1-one
CID 89031619

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-iodoprop-2-enyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The IUPAC name of 6-[(E)-3-iodoprop-2-enyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one (CID 22466510) is 6-[(E)-3-iodoprop-2-enyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 6-[(E)-3-iodoprop-2-enyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 6-[(E)-3-iodoprop-2-enyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one is C=C(C)C1CC=C(C)C(=O)C1(C)C/C=C/I.
What is the InChIKey of 6-[(E)-3-iodoprop-2-enyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The InChIKey is VGPVPXHZSULHGQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C14H19IO/c1-10(2)12-7-6-11(3)13(16)14(12,4)8-5-9-15/h5-6,9,12H,1,7-8H2,2-4H3/b9-5+.
What are the key properties of 6-[(E)-3-iodoprop-2-enyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
6-[(E)-3-iodoprop-2-enyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 330.21 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-iodoprop-2-enyl]-2,6-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 22466510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).