[(Z)-non-6-en-1-yn-3-yl]benzene

C15H18 — CID 155708108

IUPAC[(Z)-non-6-en-1-yn-3-yl]benzene
SMILESC#CC(CC/C=C\CC)c1ccccc1
InChIInChI=1S/C15H18/c1-3-5-6-8-11-14(4-2)15-12-9-7-10-13-15/h2,5-7,9-10,12-14H,3,8,11H2,1H3/b6-5-
InChIKeyIVMRJZKVEDNEFB-WAYWQWQTSA-N
MW198.31 g/mol
LogP4.15
Rot. Bonds5

About [(Z)-non-6-en-1-yn-3-yl]benzene

[(Z)-non-6-en-1-yn-3-yl]benzene (PubChem CID 155708108) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is [(Z)-non-6-en-1-yn-3-yl]benzene.

Molecular Properties

Compound Name[(Z)-non-6-en-1-yn-3-yl]benzene
PubChem CID155708108
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name[(Z)-non-6-en-1-yn-3-yl]benzene
SMILESC#CC(CC/C=C\CC)c1ccccc1
InChIInChI=1S/C15H18/c1-3-5-6-8-11-14(4-2)15-12-9-7-10-13-15/h2,5-7,9-10,12-14H,3,8,11H2,1H3/b6-5-
InChIKeyIVMRJZKVEDNEFB-WAYWQWQTSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hex-3-enyl(triphenyl)phosphanium
CID 73026873
[(Z)-hex-3-enyl]-triphenylphosphanium
CID 10993587
[(Z)-1-phenyloct-4-enyl]benzene
CID 143321928
[(3Z,6Z)-nona-3,6-dienyl]-triphenylphosphanium
CID 10099245
[(3E,7Z)-deca-3,7-dien-2-yl]benzene
CID 123551652
(Z,2S)-2-phenylnon-6-enal
CID 135041742
[(E)-1-fluorohex-3-enyl]benzene
CID 132568386
2-methyl-5-phenylhept-6-yn-3-one
CID 15912193
(9Z,12Z,15Z)-2-phenyloctadeca-9,12,15-trienoic acid
CID 141172455
6-(cyclopropylmethoxy)hex-1-yn-3-ylbenzene
CID 100959602
[(Z)-1-ethyl-7-phenyloct-3-enyl]benzene
CID 58843288
2-[(Z)-oct-5-en-2-yl]pyridine
CID 122646585

Frequently Asked Questions

What is the IUPAC name of [(Z)-non-6-en-1-yn-3-yl]benzene?
The IUPAC name of [(Z)-non-6-en-1-yn-3-yl]benzene (CID 155708108) is [(Z)-non-6-en-1-yn-3-yl]benzene.
What is the SMILES notation for [(Z)-non-6-en-1-yn-3-yl]benzene?
The canonical SMILES for [(Z)-non-6-en-1-yn-3-yl]benzene is C#CC(CC/C=C\CC)c1ccccc1.
What is the InChIKey of [(Z)-non-6-en-1-yn-3-yl]benzene?
The InChIKey is IVMRJZKVEDNEFB-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H18/c1-3-5-6-8-11-14(4-2)15-12-9-7-10-13-15/h2,5-7,9-10,12-14H,3,8,11H2,1H3/b6-5-.
What are the key properties of [(Z)-non-6-en-1-yn-3-yl]benzene?
[(Z)-non-6-en-1-yn-3-yl]benzene has a molecular weight of 198.31 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-non-6-en-1-yn-3-yl]benzene is sourced from PubChem (CID 155708108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).