oct-1-en-4-ylbenzene

C14H20 — CID 22247233

IUPACoct-1-en-4-ylbenzene
SMILESC=CCC(CCCC)c1ccccc1
InChIInChI=1S/C14H20/c1-3-5-10-13(9-4-2)14-11-7-6-8-12-14/h4,6-8,11-13H,2-3,5,9-10H2,1H3
InChIKeyLKSZOQMZRIERKX-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.54
Rot. Bonds6

About oct-1-en-4-ylbenzene

oct-1-en-4-ylbenzene (PubChem CID 22247233) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is oct-1-en-4-ylbenzene.

Molecular Properties

Compound Nameoct-1-en-4-ylbenzene
PubChem CID22247233
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Nameoct-1-en-4-ylbenzene
SMILESC=CCC(CCCC)c1ccccc1
InChIInChI=1S/C14H20/c1-3-5-10-13(9-4-2)14-11-7-6-8-12-14/h4,6-8,11-13H,2-3,5,9-10H2,1H3
InChIKeyLKSZOQMZRIERKX-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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

(5R)-7-phenyldec-9-en-5-ol
CID 134965025
3-phenylheptanal
CID 10954355
10-phenyltetradecan-5-ylbenzene
CID 22891787
dec-1-en-5-ylbenzene;dec-9-en-5-ylbenzene
CID 158724514
tetradec-13-en-7-ylbenzene
CID 140694824
CID 58843291
CID 58843291
(3R)-3-phenylhex-5-en-1-ol
CID 10419714
heptan-3-ylbenzene;methane
CID 159006232
N,N-dimethyl-3-phenylhex-5-en-1-amine;hydrochloride
CID 3046459
(1-pentyl-3-phenylheptyl)benzene
CID 154153436
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613

Frequently Asked Questions

What is the IUPAC name of oct-1-en-4-ylbenzene?
The IUPAC name of oct-1-en-4-ylbenzene (CID 22247233) is oct-1-en-4-ylbenzene.
What is the SMILES notation for oct-1-en-4-ylbenzene?
The canonical SMILES for oct-1-en-4-ylbenzene is C=CCC(CCCC)c1ccccc1.
What is the InChIKey of oct-1-en-4-ylbenzene?
The InChIKey is LKSZOQMZRIERKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-3-5-10-13(9-4-2)14-11-7-6-8-12-14/h4,6-8,11-13H,2-3,5,9-10H2,1H3.
What are the key properties of oct-1-en-4-ylbenzene?
oct-1-en-4-ylbenzene has a molecular weight of 188.31 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for oct-1-en-4-ylbenzene is sourced from PubChem (CID 22247233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).