[(E)-1,3-dichloropent-1-en-3-yl]benzene

C11H12Cl2 — CID 21490579

IUPAC[(E)-1,3-dichloropent-1-en-3-yl]benzene
SMILESCCC(Cl)(/C=C/Cl)c1ccccc1
InChIInChI=1S/C11H12Cl2/c1-2-11(13,8-9-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
InChIKeyGUZHUJHVZMORFT-CMDGGOBGSA-N
MW215.12 g/mol
LogP4.28
Rot. Bonds3

About [(E)-1,3-dichloropent-1-en-3-yl]benzene

[(E)-1,3-dichloropent-1-en-3-yl]benzene (PubChem CID 21490579) has the molecular formula C11H12Cl2 and a molecular weight of 215.12 g/mol. Its IUPAC name is [(E)-1,3-dichloropent-1-en-3-yl]benzene.

Molecular Properties

Compound Name[(E)-1,3-dichloropent-1-en-3-yl]benzene
PubChem CID21490579
Molecular FormulaC11H12Cl2
Molecular Weight215.12 g/mol
Exact Mass214.03
IUPAC Name[(E)-1,3-dichloropent-1-en-3-yl]benzene
SMILESCCC(Cl)(/C=C/Cl)c1ccccc1
InChIInChI=1S/C11H12Cl2/c1-2-11(13,8-9-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
InChIKeyGUZHUJHVZMORFT-CMDGGOBGSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-1,3-dichloropent-1-en-3-yl]benzene?
The IUPAC name of [(E)-1,3-dichloropent-1-en-3-yl]benzene (CID 21490579) is [(E)-1,3-dichloropent-1-en-3-yl]benzene.
What is the SMILES notation for [(E)-1,3-dichloropent-1-en-3-yl]benzene?
The canonical SMILES for [(E)-1,3-dichloropent-1-en-3-yl]benzene is CCC(Cl)(/C=C/Cl)c1ccccc1.
What is the InChIKey of [(E)-1,3-dichloropent-1-en-3-yl]benzene?
The InChIKey is GUZHUJHVZMORFT-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H12Cl2/c1-2-11(13,8-9-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+.
What are the key properties of [(E)-1,3-dichloropent-1-en-3-yl]benzene?
[(E)-1,3-dichloropent-1-en-3-yl]benzene has a molecular weight of 215.12 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,3-dichloropent-1-en-3-yl]benzene is sourced from PubChem (CID 21490579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).