[(3Z)-2-iodopenta-1,3-dien-3-yl]benzene

C11H11I — CID 125477418

IUPAC[(3Z)-2-iodopenta-1,3-dien-3-yl]benzene
SMILESC=C(I)/C(=C\C)c1ccccc1
InChIInChI=1S/C11H11I/c1-3-11(9(2)12)10-7-5-4-6-8-10/h3-8H,2H2,1H3/b11-3+
InChIKeyNTJRDLBUXGCJSK-QDEBKDIKSA-N
MW270.11 g/mol
LogP4.04
Rot. Bonds2

About [(3Z)-2-iodopenta-1,3-dien-3-yl]benzene

[(3Z)-2-iodopenta-1,3-dien-3-yl]benzene (PubChem CID 125477418) has the molecular formula C11H11I and a molecular weight of 270.11 g/mol. Its IUPAC name is [(3Z)-2-iodopenta-1,3-dien-3-yl]benzene.

Molecular Properties

Compound Name[(3Z)-2-iodopenta-1,3-dien-3-yl]benzene
PubChem CID125477418
Molecular FormulaC11H11I
Molecular Weight270.11 g/mol
Exact Mass269.99
IUPAC Name[(3Z)-2-iodopenta-1,3-dien-3-yl]benzene
SMILESC=C(I)/C(=C\C)c1ccccc1
InChIInChI=1S/C11H11I/c1-3-11(9(2)12)10-7-5-4-6-8-10/h3-8H,2H2,1H3/b11-3+
InChIKeyNTJRDLBUXGCJSK-QDEBKDIKSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592
[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene
CID 153494817
ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene
CID 143592596
2-phenylbut-2-enoate
CID 4099750
(E)-2-phenylbut-2-enethioamide
CID 158611292
(E)-2-phenylbut-2-enoate
CID 6379118
[(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene
CID 142604894
1-phenyl-4-[(2E,4E)-4-(4-phenylphenyl)hexa-2,4-dien-3-yl]benzene
CID 73056693
(3E)-2-phenylpenta-1,3-dien-3-ol
CID 126638860
(NZ)-N-[(E)-3-phenylpent-3-en-2-ylidene]hydroxylamine
CID 5370538
[(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene
CID 155717398
[(2Z,4E)-4-(methoxymethyl)-6-methylhepta-2,4,6-trien-3-yl]benzene
CID 143050918

Frequently Asked Questions

What is the IUPAC name of [(3Z)-2-iodopenta-1,3-dien-3-yl]benzene?
The IUPAC name of [(3Z)-2-iodopenta-1,3-dien-3-yl]benzene (CID 125477418) is [(3Z)-2-iodopenta-1,3-dien-3-yl]benzene.
What is the SMILES notation for [(3Z)-2-iodopenta-1,3-dien-3-yl]benzene?
The canonical SMILES for [(3Z)-2-iodopenta-1,3-dien-3-yl]benzene is C=C(I)/C(=C\C)c1ccccc1.
What is the InChIKey of [(3Z)-2-iodopenta-1,3-dien-3-yl]benzene?
The InChIKey is NTJRDLBUXGCJSK-QDEBKDIKSA-N. The full InChI is InChI=1S/C11H11I/c1-3-11(9(2)12)10-7-5-4-6-8-10/h3-8H,2H2,1H3/b11-3+.
What are the key properties of [(3Z)-2-iodopenta-1,3-dien-3-yl]benzene?
[(3Z)-2-iodopenta-1,3-dien-3-yl]benzene has a molecular weight of 270.11 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-2-iodopenta-1,3-dien-3-yl]benzene is sourced from PubChem (CID 125477418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).