oct-1-en-3-yn-2-ylbenzene

C14H16 — CID 86242377

IUPACoct-1-en-3-yn-2-ylbenzene
SMILESC=C(C#CCCCC)c1ccccc1
InChIInChI=1S/C14H16/c1-3-4-5-7-10-13(2)14-11-8-6-9-12-14/h6,8-9,11-12H,2-5H2,1H3
InChIKeyFYHOYIFDUSXTLC-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.89
Rot. Bonds3

About oct-1-en-3-yn-2-ylbenzene

oct-1-en-3-yn-2-ylbenzene (PubChem CID 86242377) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is oct-1-en-3-yn-2-ylbenzene.

Molecular Properties

Compound Nameoct-1-en-3-yn-2-ylbenzene
PubChem CID86242377
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Nameoct-1-en-3-yn-2-ylbenzene
SMILESC=C(C#CCCCC)c1ccccc1
InChIInChI=1S/C14H16/c1-3-4-5-7-10-13(2)14-11-8-6-9-12-14/h6,8-9,11-12H,2-5H2,1H3
InChIKeyFYHOYIFDUSXTLC-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-oct-1-en-3-yn-2-ylbenzonitrile
CID 171726824
(NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine
CID 118955028
(Z)-3-ethyl-4,5-diphenylundec-4-en-6-yn-3-ol
CID 11279446
N-hept-2-ynylbenzamide
CID 102291976
1-dec-1-en-3-yn-2-yl-2-fluorobenzene
CID 172559597
1-(2-hept-2-ynoylphenyl)hept-2-yn-1-one
CID 164666066
N-tert-butyl-1-phenylpentadec-2-yn-1-imine
CID 71659442
tributyl(1-phenylethenyl)phosphanium
CID 71320893
1-hex-1-ynyl-2-(1-phenylpropa-1,2-dienyl)benzene
CID 101122268
[(Z)-3-ethyl-4-methyldec-3-en-1,5-diynyl]benzene
CID 11807093
3-methyl-1,3-diphenylnon-4-yn-1-one
CID 102480469
N-oct-1-ynyl-1,1-diphenylmethanimine
CID 102450748

Frequently Asked Questions

What is the IUPAC name of oct-1-en-3-yn-2-ylbenzene?
The IUPAC name of oct-1-en-3-yn-2-ylbenzene (CID 86242377) is oct-1-en-3-yn-2-ylbenzene.
What is the SMILES notation for oct-1-en-3-yn-2-ylbenzene?
The canonical SMILES for oct-1-en-3-yn-2-ylbenzene is C=C(C#CCCCC)c1ccccc1.
What is the InChIKey of oct-1-en-3-yn-2-ylbenzene?
The InChIKey is FYHOYIFDUSXTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-3-4-5-7-10-13(2)14-11-8-6-9-12-14/h6,8-9,11-12H,2-5H2,1H3.
What are the key properties of oct-1-en-3-yn-2-ylbenzene?
oct-1-en-3-yn-2-ylbenzene has a molecular weight of 184.28 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for oct-1-en-3-yn-2-ylbenzene is sourced from PubChem (CID 86242377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).