1-chloro-4-(5-chloro-2-methylpent-2-enyl)benzene

C12H14Cl2 — CID 79603110

IUPAC1-chloro-4-(5-chloro-2-methylpent-2-enyl)benzene
SMILESCC(=CCCCl)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H14Cl2/c1-10(3-2-8-13)9-11-4-6-12(14)7-5-11/h3-7H,2,8-9H2,1H3
InChIKeyVTKROXXXWBFFOP-UHFFFAOYSA-N
MW229.15 g/mol
LogP4.46
Rot. Bonds4

About 1-chloro-4-(5-chloro-2-methylpent-2-enyl)benzene

1-chloro-4-(5-chloro-2-methylpent-2-enyl)benzene (PubChem CID 79603110) has the molecular formula C12H14Cl2 and a molecular weight of 229.15 g/mol. Its IUPAC name is 1-chloro-4-(5-chloro-2-methylpent-2-enyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(5-chloro-2-methylpent-2-enyl)benzene
PubChem CID79603110
Molecular FormulaC12H14Cl2
Molecular Weight229.15 g/mol
Exact Mass228.05
IUPAC Name1-chloro-4-(5-chloro-2-methylpent-2-enyl)benzene
SMILESCC(=CCCCl)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H14Cl2/c1-10(3-2-8-13)9-11-4-6-12(14)7-5-11/h3-7H,2,8-9H2,1H3
InChIKeyVTKROXXXWBFFOP-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-methylpent-2-enyl)-4-ethylbenzene
CID 79603113
2-chloro-1-[(Z)-5-chloro-2-methylpent-2-enyl]-4-methylbenzene
CID 106870839
4-[(Z)-5-bromo-2-methylpent-2-enyl]-1,2-difluorobenzene
CID 82934801
1-bromo-2-(5-chloro-2-methylpent-2-enyl)benzene
CID 79592669
magnesium;1-chloro-4-(3-methylbut-2-enyl)benzene;hydride
CID 173424213
methyl-[(E)-4-methyl-5-phenylpent-3-enyl]oxidanium
CID 163985565
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
(2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol
CID 53310712
(2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dien-1-ol
CID 15380841
1-tert-butyl-4-(2-methylpent-2-enyl)benzene
CID 57230599
2-(4-chlorophenyl)acetate
CID 5460378
1-(4-chlorophenyl)butan-2-one
CID 39237509

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(5-chloro-2-methylpent-2-enyl)benzene?
The IUPAC name of 1-chloro-4-(5-chloro-2-methylpent-2-enyl)benzene (CID 79603110) is 1-chloro-4-(5-chloro-2-methylpent-2-enyl)benzene.
What is the SMILES notation for 1-chloro-4-(5-chloro-2-methylpent-2-enyl)benzene?
The canonical SMILES for 1-chloro-4-(5-chloro-2-methylpent-2-enyl)benzene is CC(=CCCCl)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(5-chloro-2-methylpent-2-enyl)benzene?
The InChIKey is VTKROXXXWBFFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2/c1-10(3-2-8-13)9-11-4-6-12(14)7-5-11/h3-7H,2,8-9H2,1H3.
What are the key properties of 1-chloro-4-(5-chloro-2-methylpent-2-enyl)benzene?
1-chloro-4-(5-chloro-2-methylpent-2-enyl)benzene has a molecular weight of 229.15 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(5-chloro-2-methylpent-2-enyl)benzene is sourced from PubChem (CID 79603110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).