[(E)-8-chlorooct-1-en-4-ynyl]benzene

C14H15Cl — CID 14322104

IUPAC[(E)-8-chlorooct-1-en-4-ynyl]benzene
SMILESClCCCC#CC/C=C/c1ccccc1
InChIInChI=1S/C14H15Cl/c15-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5-8,10-12H,3-4,9,13H2/b10-6+
InChIKeyVQIFUBQJIRFHBU-UXBLZVDNSA-N
MW218.73 g/mol
LogP4.11
Rot. Bonds4

About [(E)-8-chlorooct-1-en-4-ynyl]benzene

[(E)-8-chlorooct-1-en-4-ynyl]benzene (PubChem CID 14322104) has the molecular formula C14H15Cl and a molecular weight of 218.73 g/mol. Its IUPAC name is [(E)-8-chlorooct-1-en-4-ynyl]benzene.

Molecular Properties

Compound Name[(E)-8-chlorooct-1-en-4-ynyl]benzene
PubChem CID14322104
Molecular FormulaC14H15Cl
Molecular Weight218.73 g/mol
Exact Mass218.09
IUPAC Name[(E)-8-chlorooct-1-en-4-ynyl]benzene
SMILESClCCCC#CC/C=C/c1ccccc1
InChIInChI=1S/C14H15Cl/c15-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5-8,10-12H,3-4,9,13H2/b10-6+
InChIKeyVQIFUBQJIRFHBU-UXBLZVDNSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-4-(6-chlorohex-2-ynoxy)but-1-enyl]benzene
CID 67923189
buta-1,3-diene;6-chlorohex-1-enylbenzene
CID 173180701
1-phenyl-4-[(E)-5-phenylpent-4-en-1-ynyl]benzene
CID 164683205
[(E)-3-chloroprop-1-enyl]benzene;hydron
CID 174539817
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
1-methyl-2-[(E)-5-phenylpent-4-en-1-ynyl]benzene
CID 164683493
chloro(3-phenylprop-2-enyl)silane
CID 154264872
1-(3-chloropropoxy)-4-[(E)-2-phenylethenyl]benzene
CID 23150283
1-methyl-3-[(E)-5-phenylpent-4-en-1-ynyl]benzene
CID 164682760
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
hex-1-en-5-ynylbenzene
CID 54176357
4-(4-anilinophenyl)but-3-enenitrile
CID 90791121

Frequently Asked Questions

What is the IUPAC name of [(E)-8-chlorooct-1-en-4-ynyl]benzene?
The IUPAC name of [(E)-8-chlorooct-1-en-4-ynyl]benzene (CID 14322104) is [(E)-8-chlorooct-1-en-4-ynyl]benzene.
What is the SMILES notation for [(E)-8-chlorooct-1-en-4-ynyl]benzene?
The canonical SMILES for [(E)-8-chlorooct-1-en-4-ynyl]benzene is ClCCCC#CC/C=C/c1ccccc1.
What is the InChIKey of [(E)-8-chlorooct-1-en-4-ynyl]benzene?
The InChIKey is VQIFUBQJIRFHBU-UXBLZVDNSA-N. The full InChI is InChI=1S/C14H15Cl/c15-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5-8,10-12H,3-4,9,13H2/b10-6+.
What are the key properties of [(E)-8-chlorooct-1-en-4-ynyl]benzene?
[(E)-8-chlorooct-1-en-4-ynyl]benzene has a molecular weight of 218.73 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-8-chlorooct-1-en-4-ynyl]benzene is sourced from PubChem (CID 14322104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).