1-chloro-4-[(E)-hept-1-enyl]benzene

C13H17Cl — CID 11513991

IUPAC1-chloro-4-[(E)-hept-1-enyl]benzene
SMILESCCCCC/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C13H17Cl/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h6-11H,2-5H2,1H3/b7-6+
InChIKeyFFPNEHLINYRHDJ-VOTSOKGWSA-N
MW208.73 g/mol
LogP4.93
Rot. Bonds5

About 1-chloro-4-[(E)-hept-1-enyl]benzene

1-chloro-4-[(E)-hept-1-enyl]benzene (PubChem CID 11513991) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is 1-chloro-4-[(E)-hept-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(E)-hept-1-enyl]benzene
PubChem CID11513991
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name1-chloro-4-[(E)-hept-1-enyl]benzene
SMILESCCCCC/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C13H17Cl/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h6-11H,2-5H2,1H3/b7-6+
InChIKeyFFPNEHLINYRHDJ-VOTSOKGWSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

P,P'-dde
CID 3035
4-Chlorotoluene
CID 7810
2,4-Dichlorotoluene
CID 7254
1-Chloro-4-(trifluoromethyl)benzene
CID 7394
2-Chlorotoluene
CID 7238
3-Chlorotoluene
CID 7931
2-Chlorostyrene
CID 14906
Benzene, 1,2-dichloro-4-methyl-
CID 7256
4-Chlorobiphenyl
CID 16323
2,4'-Dichlorobiphenyl
CID 36982
1-Chloro-4-(chloromethyl)benzene
CID 7723
4-Chlorostyrene
CID 14085

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(E)-hept-1-enyl]benzene?
The IUPAC name of 1-chloro-4-[(E)-hept-1-enyl]benzene (CID 11513991) is 1-chloro-4-[(E)-hept-1-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[(E)-hept-1-enyl]benzene?
The canonical SMILES for 1-chloro-4-[(E)-hept-1-enyl]benzene is CCCCC/C=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(E)-hept-1-enyl]benzene?
The InChIKey is FFPNEHLINYRHDJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H17Cl/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h6-11H,2-5H2,1H3/b7-6+.
What are the key properties of 1-chloro-4-[(E)-hept-1-enyl]benzene?
1-chloro-4-[(E)-hept-1-enyl]benzene has a molecular weight of 208.73 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(E)-hept-1-enyl]benzene is sourced from PubChem (CID 11513991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).