1-chloro-4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]benzene

C12H12Cl2 — CID 12881547

IUPAC1-chloro-4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]benzene
SMILESCC(C)=C/C=C(\Cl)c1ccc(Cl)cc1
InChIInChI=1S/C12H12Cl2/c1-9(2)3-8-12(14)10-4-6-11(13)7-5-10/h3-8H,1-2H3/b12-8-
InChIKeyZKLKEWYWNHPRPF-WQLSENKSSA-N
MW227.13 g/mol
LogP4.89
Rot. Bonds2

About 1-chloro-4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]benzene

1-chloro-4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]benzene (PubChem CID 12881547) has the molecular formula C12H12Cl2 and a molecular weight of 227.13 g/mol. Its IUPAC name is 1-chloro-4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]benzene
PubChem CID12881547
Molecular FormulaC12H12Cl2
Molecular Weight227.13 g/mol
Exact Mass226.03
IUPAC Name1-chloro-4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]benzene
SMILESCC(C)=C/C=C(\Cl)c1ccc(Cl)cc1
InChIInChI=1S/C12H12Cl2/c1-9(2)3-8-12(14)10-4-6-11(13)7-5-10/h3-8H,1-2H3/b12-8-
InChIKeyZKLKEWYWNHPRPF-WQLSENKSSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 54.89
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

4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]phenol
CID 163484573
1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene
CID 166064052
2-[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]propanedinitrile
CID 5473313
[(E)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate
CID 135052899
1-(4-chlorophenyl)-3-methylbut-2-en-1-one
CID 15164203
bis(but-2-yne);1-chloro-4-methylbenzene;bis((2E)-2-chloro-5-methylhexa-2,4-diene)
CID 143106639
(E)-3-chloro-3-(4-chlorophenyl)prop-2-en-1-ol
CID 87277386
[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium;dichlorophosphinate
CID 6446895
(2Z)-2-(4-chlorophenyl)-6-methylhepta-2,5-dien-4-one
CID 13153107
2-methylprop-1-enyl 4-chlorobenzoate
CID 10703694
3-(4-chlorophenyl)but-2-enal
CID 74343436
1-chloro-4-[(E)-1,2-dichloro-2-(4-chlorophenyl)ethenyl]benzene
CID 13114440

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]benzene?
The IUPAC name of 1-chloro-4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]benzene (CID 12881547) is 1-chloro-4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]benzene.
What is the SMILES notation for 1-chloro-4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]benzene?
The canonical SMILES for 1-chloro-4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]benzene is CC(C)=C/C=C(\Cl)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]benzene?
The InChIKey is ZKLKEWYWNHPRPF-WQLSENKSSA-N. The full InChI is InChI=1S/C12H12Cl2/c1-9(2)3-8-12(14)10-4-6-11(13)7-5-10/h3-8H,1-2H3/b12-8-.
What are the key properties of 1-chloro-4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]benzene?
1-chloro-4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]benzene has a molecular weight of 227.13 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]benzene is sourced from PubChem (CID 12881547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).