(2E,4E)-5-iodo-3,4-dimethylpenta-2,4-dien-1-ol

C7H11IO — CID 25192802

IUPAC(2E,4E)-5-iodo-3,4-dimethylpenta-2,4-dien-1-ol
SMILESCC(=C\I)/C(C)=C/CO
InChIInChI=1S/C7H11IO/c1-6(3-4-9)7(2)5-8/h3,5,9H,4H2,1-2H3/b6-3+,7-5+
InChIKeyXHLRKZAHZZGJQT-SNCPXTGUSA-N
MW238.07 g/mol
LogP2.26
Rot. Bonds2

About (2E,4E)-5-iodo-3,4-dimethylpenta-2,4-dien-1-ol

(2E,4E)-5-iodo-3,4-dimethylpenta-2,4-dien-1-ol (PubChem CID 25192802) has the molecular formula C7H11IO and a molecular weight of 238.07 g/mol. Its IUPAC name is (2E,4E)-5-iodo-3,4-dimethylpenta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-5-iodo-3,4-dimethylpenta-2,4-dien-1-ol
PubChem CID25192802
Molecular FormulaC7H11IO
Molecular Weight238.07 g/mol
Exact Mass237.99
IUPAC Name(2E,4E)-5-iodo-3,4-dimethylpenta-2,4-dien-1-ol
SMILESCC(=C\I)/C(C)=C/CO
InChIInChI=1S/C7H11IO/c1-6(3-4-9)7(2)5-8/h3,5,9H,4H2,1-2H3/b6-3+,7-5+
InChIKeyXHLRKZAHZZGJQT-SNCPXTGUSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-5-iodo-3-methylpenta-2,4-dien-1-ol
CID 14991226
(E)-3-methyl(411C)but-2-en-1-ol
CID 11693897
5-bromo-3-methylpenta-2,4-dien-1-ol
CID 138114565
3-methylbut-2-en-1-ol;hydrate
CID 172859141
(2Z,5E)-6-iodo-5-methylhexa-2,5-dien-1-ol
CID 102203445
3-methylbut-2-en-1-ol;2-methylprop-1-ene
CID 87257087
(3E,7E)-9-hydroxy-3,7-dimethylnona-3,7-dien-2-one
CID 87428848
3-methylpenta-2,4-dien-1-ol
CID 534959
4,5-dimethylocta-3,5-dienedioic acid
CID 57299437
(Z)-3-methylpent-2-ene-1,5-diol
CID 12561740
(Z)-4,4,4-trideuterio-3-methylbut-2-en-1-ol
CID 25240200
(2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol
CID 154496007

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-iodo-3,4-dimethylpenta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-5-iodo-3,4-dimethylpenta-2,4-dien-1-ol (CID 25192802) is (2E,4E)-5-iodo-3,4-dimethylpenta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-5-iodo-3,4-dimethylpenta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-5-iodo-3,4-dimethylpenta-2,4-dien-1-ol is CC(=C\I)/C(C)=C/CO.
What is the InChIKey of (2E,4E)-5-iodo-3,4-dimethylpenta-2,4-dien-1-ol?
The InChIKey is XHLRKZAHZZGJQT-SNCPXTGUSA-N. The full InChI is InChI=1S/C7H11IO/c1-6(3-4-9)7(2)5-8/h3,5,9H,4H2,1-2H3/b6-3+,7-5+.
What are the key properties of (2E,4E)-5-iodo-3,4-dimethylpenta-2,4-dien-1-ol?
(2E,4E)-5-iodo-3,4-dimethylpenta-2,4-dien-1-ol has a molecular weight of 238.07 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-iodo-3,4-dimethylpenta-2,4-dien-1-ol is sourced from PubChem (CID 25192802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).