oct-2-en-4-ylbenzene

C14H20 — CID 73177891

IUPACoct-2-en-4-ylbenzene
SMILESCC=CC(CCCC)c1ccccc1
InChIInChI=1S/C14H20/c1-3-5-10-13(9-4-2)14-11-7-6-8-12-14/h4,6-9,11-13H,3,5,10H2,1-2H3
InChIKeyWINGJRZAMHZYHJ-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.54
Rot. Bonds5

About oct-2-en-4-ylbenzene

oct-2-en-4-ylbenzene (PubChem CID 73177891) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is oct-2-en-4-ylbenzene.

Molecular Properties

Compound Nameoct-2-en-4-ylbenzene
PubChem CID73177891
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Nameoct-2-en-4-ylbenzene
SMILESCC=CC(CCCC)c1ccccc1
InChIInChI=1S/C14H20/c1-3-5-10-13(9-4-2)14-11-7-6-8-12-14/h4,6-9,11-13H,3,5,10H2,1-2H3
InChIKeyWINGJRZAMHZYHJ-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(E)-8-phenyldodec-6-en-5-yl]benzene
CID 14267465
(Z,2S)-2-phenylpent-3-en-1-ol
CID 129386000
(E)-2-phenylpent-3-en-1-amine
CID 131236812
2-phenylnonanethial
CID 141351724
1,1'-biphenyl;4-methyloct-2-ene
CID 174736945
2-phenyldecanethial
CID 141351719
10-phenyltetradecan-5-ylbenzene
CID 22891787
(1S)-1-phenylpentan-1-ol
CID 6992754
[(E,2S,5R)-2-methyl-5-phenylundec-3-enyl]-diphenylphosphane
CID 15204396
CID 173139841
CID 173139841
[(2E,5E)-hepta-2,5-dien-4-yl]benzene
CID 102268055
1-isocyanopentylbenzene
CID 172755000

Frequently Asked Questions

What is the IUPAC name of oct-2-en-4-ylbenzene?
The IUPAC name of oct-2-en-4-ylbenzene (CID 73177891) is oct-2-en-4-ylbenzene.
What is the SMILES notation for oct-2-en-4-ylbenzene?
The canonical SMILES for oct-2-en-4-ylbenzene is CC=CC(CCCC)c1ccccc1.
What is the InChIKey of oct-2-en-4-ylbenzene?
The InChIKey is WINGJRZAMHZYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-3-5-10-13(9-4-2)14-11-7-6-8-12-14/h4,6-9,11-13H,3,5,10H2,1-2H3.
What are the key properties of oct-2-en-4-ylbenzene?
oct-2-en-4-ylbenzene has a molecular weight of 188.31 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for oct-2-en-4-ylbenzene is sourced from PubChem (CID 73177891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).