[(Z)-2-chlorooct-1-enyl]benzene

C14H19Cl — CID 15271116

IUPAC[(Z)-2-chlorooct-1-enyl]benzene
SMILESCCCCCC/C(Cl)=C/c1ccccc1
InChIInChI=1S/C14H19Cl/c1-2-3-4-8-11-14(15)12-13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3/b14-12-
InChIKeyQVDUWXQJYRLLGO-OWBHPGMISA-N
MW222.76 g/mol
LogP5.24
Rot. Bonds6

About [(Z)-2-chlorooct-1-enyl]benzene

[(Z)-2-chlorooct-1-enyl]benzene (PubChem CID 15271116) has the molecular formula C14H19Cl and a molecular weight of 222.76 g/mol. Its IUPAC name is [(Z)-2-chlorooct-1-enyl]benzene.

Molecular Properties

Compound Name[(Z)-2-chlorooct-1-enyl]benzene
PubChem CID15271116
Molecular FormulaC14H19Cl
Molecular Weight222.76 g/mol
Exact Mass222.12
IUPAC Name[(Z)-2-chlorooct-1-enyl]benzene
SMILESCCCCCC/C(Cl)=C/c1ccccc1
InChIInChI=1S/C14H19Cl/c1-2-3-4-8-11-14(15)12-13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3/b14-12-
InChIKeyQVDUWXQJYRLLGO-OWBHPGMISA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.76
LogP ≤ 55.24
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

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ethyl 2-benzylidenedecanoate
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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-chlorooct-1-enyl]benzene?
The IUPAC name of [(Z)-2-chlorooct-1-enyl]benzene (CID 15271116) is [(Z)-2-chlorooct-1-enyl]benzene.
What is the SMILES notation for [(Z)-2-chlorooct-1-enyl]benzene?
The canonical SMILES for [(Z)-2-chlorooct-1-enyl]benzene is CCCCCC/C(Cl)=C/c1ccccc1.
What is the InChIKey of [(Z)-2-chlorooct-1-enyl]benzene?
The InChIKey is QVDUWXQJYRLLGO-OWBHPGMISA-N. The full InChI is InChI=1S/C14H19Cl/c1-2-3-4-8-11-14(15)12-13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3/b14-12-.
What are the key properties of [(Z)-2-chlorooct-1-enyl]benzene?
[(Z)-2-chlorooct-1-enyl]benzene has a molecular weight of 222.76 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-chlorooct-1-enyl]benzene is sourced from PubChem (CID 15271116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).