(E,2S)-5-iodo-2,4-dimethylpent-4-enal

C7H11IO — CID 124658711

IUPAC(E,2S)-5-iodo-2,4-dimethylpent-4-enal
SMILESC/C(=C\I)CC(C)C=O
InChIInChI=1S/C7H11IO/c1-6(4-8)3-7(2)5-9/h4-5,7H,3H2,1-2H3/b6-4+
InChIKeyDRZQHAAFHLVMLP-GQCTYLIASA-N
MW238.07 g/mol
LogP2.55
Rot. Bonds3

About (E,2S)-5-iodo-2,4-dimethylpent-4-enal

(E,2S)-5-iodo-2,4-dimethylpent-4-enal (PubChem CID 124658711) has the molecular formula C7H11IO and a molecular weight of 238.07 g/mol. Its IUPAC name is (E,2S)-5-iodo-2,4-dimethylpent-4-enal.

Molecular Properties

Compound Name(E,2S)-5-iodo-2,4-dimethylpent-4-enal
PubChem CID124658711
Molecular FormulaC7H11IO
Molecular Weight238.07 g/mol
Exact Mass237.99
IUPAC Name(E,2S)-5-iodo-2,4-dimethylpent-4-enal
SMILESC/C(=C\I)CC(C)C=O
InChIInChI=1S/C7H11IO/c1-6(4-8)3-7(2)5-9/h4-5,7H,3H2,1-2H3/b6-4+
InChIKeyDRZQHAAFHLVMLP-GQCTYLIASA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-iodo-2,4-dimethylpent-1-ene
CID 58173205
(E,4S)-1,6-diiodo-2,4-dimethylhex-1-ene
CID 10666442
[(E,2S)-5-iodo-4-methylpent-4-en-2-yl] acetate
CID 11288623
(E)-2,4-dimethyl-5-phenylpent-4-enal
CID 58390606
N-acetyl-3-methyl-4-oxobutanamide;ethane;propane
CID 143333813
(E,2R)-5-iodo-4-methylpent-4-ene-1,2-diol
CID 11851117
(Z,2S)-5-iodo-4-methylpent-4-ene-1,2-diol
CID 11149183
(3R)-N-ethyl-N,3-dimethyl-4-oxobutanamide
CID 163561617
2-[ethyl-(3-methyl-4-oxobutanoyl)amino]acetic acid
CID 122413110
2-methyl-6-oxoheptanal
CID 14561323
1-iodo-2-methylpent-1-ene
CID 73232688
N,3-dimethyl-4-oxobutanamide;ethane;2,2,3-trimethylbutane
CID 145078832

Frequently Asked Questions

What is the IUPAC name of (E,2S)-5-iodo-2,4-dimethylpent-4-enal?
The IUPAC name of (E,2S)-5-iodo-2,4-dimethylpent-4-enal (CID 124658711) is (E,2S)-5-iodo-2,4-dimethylpent-4-enal.
What is the SMILES notation for (E,2S)-5-iodo-2,4-dimethylpent-4-enal?
The canonical SMILES for (E,2S)-5-iodo-2,4-dimethylpent-4-enal is C/C(=C\I)CC(C)C=O.
What is the InChIKey of (E,2S)-5-iodo-2,4-dimethylpent-4-enal?
The InChIKey is DRZQHAAFHLVMLP-GQCTYLIASA-N. The full InChI is InChI=1S/C7H11IO/c1-6(4-8)3-7(2)5-9/h4-5,7H,3H2,1-2H3/b6-4+.
What are the key properties of (E,2S)-5-iodo-2,4-dimethylpent-4-enal?
(E,2S)-5-iodo-2,4-dimethylpent-4-enal has a molecular weight of 238.07 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-5-iodo-2,4-dimethylpent-4-enal is sourced from PubChem (CID 124658711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).