1-chloro-2-[(1E)-2-chloro-3,4-dimethylpenta-1,3-dienyl]benzene

C13H14Cl2 — CID 53381482

IUPAC1-chloro-2-[(1E)-2-chloro-3,4-dimethylpenta-1,3-dienyl]benzene
SMILESCC(C)=C(C)/C(Cl)=C\c1ccccc1Cl
InChIInChI=1S/C13H14Cl2/c1-9(2)10(3)13(15)8-11-6-4-5-7-12(11)14/h4-8H,1-3H3/b13-8+
InChIKeyQNUQIDVQKSHPLA-MDWZMJQESA-N
MW241.16 g/mol
LogP5.28
Rot. Bonds2

About 1-chloro-2-[(1E)-2-chloro-3,4-dimethylpenta-1,3-dienyl]benzene

1-chloro-2-[(1E)-2-chloro-3,4-dimethylpenta-1,3-dienyl]benzene (PubChem CID 53381482) has the molecular formula C13H14Cl2 and a molecular weight of 241.16 g/mol. Its IUPAC name is 1-chloro-2-[(1E)-2-chloro-3,4-dimethylpenta-1,3-dienyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(1E)-2-chloro-3,4-dimethylpenta-1,3-dienyl]benzene
PubChem CID53381482
Molecular FormulaC13H14Cl2
Molecular Weight241.16 g/mol
Exact Mass240.05
IUPAC Name1-chloro-2-[(1E)-2-chloro-3,4-dimethylpenta-1,3-dienyl]benzene
SMILESCC(C)=C(C)/C(Cl)=C\c1ccccc1Cl
InChIInChI=1S/C13H14Cl2/c1-9(2)10(3)13(15)8-11-6-4-5-7-12(11)14/h4-8H,1-3H3/b13-8+
InChIKeyQNUQIDVQKSHPLA-MDWZMJQESA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.16
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-(2,2-dichloroethenyl)benzene
CID 11298721
ethyl (Z)-2-chloro-3-(2-chlorophenyl)prop-2-enoate
CID 13428145
(Z)-3-(2-chlorophenyl)-2-methylprop-2-enenitrile
CID 101360500
2-[(2-chlorophenyl)methylidene]-3-oxobutanamide
CID 3496380
(Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoyl chloride
CID 58417700
CID 102035541
CID 102035541
4-(2-chlorophenyl)-3-nitrobut-3-en-2-one
CID 54137180
(Z)-3-(2-chlorophenyl)-1-(4-chlorophenyl)-2-methylprop-2-en-1-one
CID 70387335
1-chloro-2-[(1Z)-4-methylpenta-1,3-dienyl]benzene
CID 84820223
(Z)-4-(2-chlorophenyl)but-3-en-2-one
CID 23273586
prop-2-enyl 2-[(2-chlorophenyl)methylidene]-3-oxobutanoate
CID 70607922
2-[(2-chlorophenyl)methylidene]butanoic acid
CID 54425924

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(1E)-2-chloro-3,4-dimethylpenta-1,3-dienyl]benzene?
The IUPAC name of 1-chloro-2-[(1E)-2-chloro-3,4-dimethylpenta-1,3-dienyl]benzene (CID 53381482) is 1-chloro-2-[(1E)-2-chloro-3,4-dimethylpenta-1,3-dienyl]benzene.
What is the SMILES notation for 1-chloro-2-[(1E)-2-chloro-3,4-dimethylpenta-1,3-dienyl]benzene?
The canonical SMILES for 1-chloro-2-[(1E)-2-chloro-3,4-dimethylpenta-1,3-dienyl]benzene is CC(C)=C(C)/C(Cl)=C\c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[(1E)-2-chloro-3,4-dimethylpenta-1,3-dienyl]benzene?
The InChIKey is QNUQIDVQKSHPLA-MDWZMJQESA-N. The full InChI is InChI=1S/C13H14Cl2/c1-9(2)10(3)13(15)8-11-6-4-5-7-12(11)14/h4-8H,1-3H3/b13-8+.
What are the key properties of 1-chloro-2-[(1E)-2-chloro-3,4-dimethylpenta-1,3-dienyl]benzene?
1-chloro-2-[(1E)-2-chloro-3,4-dimethylpenta-1,3-dienyl]benzene has a molecular weight of 241.16 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(1E)-2-chloro-3,4-dimethylpenta-1,3-dienyl]benzene is sourced from PubChem (CID 53381482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).