[(1Z)-2-(iodomethyl)buta-1,3-dienyl]benzene

C11H11I — CID 121220126

IUPAC[(1Z)-2-(iodomethyl)buta-1,3-dienyl]benzene
SMILESC=C/C(=C/c1ccccc1)CI
InChIInChI=1S/C11H11I/c1-2-10(9-12)8-11-6-4-3-5-7-11/h2-8H,1,9H2/b10-8-
InChIKeyMDKXVBMVMZKUOS-NTMALXAHSA-N
MW270.11 g/mol
LogP3.69
Rot. Bonds3

About [(1Z)-2-(iodomethyl)buta-1,3-dienyl]benzene

[(1Z)-2-(iodomethyl)buta-1,3-dienyl]benzene (PubChem CID 121220126) has the molecular formula C11H11I and a molecular weight of 270.11 g/mol. Its IUPAC name is [(1Z)-2-(iodomethyl)buta-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1Z)-2-(iodomethyl)buta-1,3-dienyl]benzene
PubChem CID121220126
Molecular FormulaC11H11I
Molecular Weight270.11 g/mol
Exact Mass269.99
IUPAC Name[(1Z)-2-(iodomethyl)buta-1,3-dienyl]benzene
SMILESC=C/C(=C/c1ccccc1)CI
InChIInChI=1S/C11H11I/c1-2-10(9-12)8-11-6-4-3-5-7-11/h2-8H,1,9H2/b10-8-
InChIKeyMDKXVBMVMZKUOS-NTMALXAHSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-phenylbuta-1,3-dien-2-ol
CID 87904786
1-methyl-4-[(1E)-2-(phenylsulfanylmethyl)buta-1,3-dienyl]benzene
CID 24775305
3-fluoro-1-phenylprop-1-en-2-ol
CID 172850528
3,5-dibenzylidenehepta-1,6-dien-4-one
CID 88644438
[(E)-2-fluoro-2-iodoethenyl]benzene
CID 11492511
[(1Z)-2-methylpenta-1,4-dienyl]benzene
CID 14247244
bis(2-methylbuta-1,3-dienylbenzene);styrene
CID 173409204
2-prop-2-enoxyprop-1-enylbenzene
CID 54107703
[(E)-2-prop-2-enoxyprop-1-enyl]benzene
CID 67861596
[(1Z)-2,4-dibenzyl-5-phenylpenta-1,3-dienyl]benzene
CID 16638609
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
2,2-dibromo(113C)ethenylbenzene
CID 131856077

Frequently Asked Questions

What is the IUPAC name of [(1Z)-2-(iodomethyl)buta-1,3-dienyl]benzene?
The IUPAC name of [(1Z)-2-(iodomethyl)buta-1,3-dienyl]benzene (CID 121220126) is [(1Z)-2-(iodomethyl)buta-1,3-dienyl]benzene.
What is the SMILES notation for [(1Z)-2-(iodomethyl)buta-1,3-dienyl]benzene?
The canonical SMILES for [(1Z)-2-(iodomethyl)buta-1,3-dienyl]benzene is C=C/C(=C/c1ccccc1)CI.
What is the InChIKey of [(1Z)-2-(iodomethyl)buta-1,3-dienyl]benzene?
The InChIKey is MDKXVBMVMZKUOS-NTMALXAHSA-N. The full InChI is InChI=1S/C11H11I/c1-2-10(9-12)8-11-6-4-3-5-7-11/h2-8H,1,9H2/b10-8-.
What are the key properties of [(1Z)-2-(iodomethyl)buta-1,3-dienyl]benzene?
[(1Z)-2-(iodomethyl)buta-1,3-dienyl]benzene has a molecular weight of 270.11 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-2-(iodomethyl)buta-1,3-dienyl]benzene is sourced from PubChem (CID 121220126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).