[(E)-oct-2-en-7-ynyl]benzene

C14H16 — CID 101423636

IUPAC[(E)-oct-2-en-7-ynyl]benzene
SMILESC#CCCC/C=C/Cc1ccccc1
InChIInChI=1S/C14H16/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h1,6-10,12-13H,3-5,11H2/b8-6+
InChIKeyGXYPXOAPQNMAMH-SOFGYWHQSA-N
MW184.28 g/mol
LogP3.59
Rot. Bonds5

About [(E)-oct-2-en-7-ynyl]benzene

[(E)-oct-2-en-7-ynyl]benzene (PubChem CID 101423636) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is [(E)-oct-2-en-7-ynyl]benzene.

Molecular Properties

Compound Name[(E)-oct-2-en-7-ynyl]benzene
PubChem CID101423636
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name[(E)-oct-2-en-7-ynyl]benzene
SMILESC#CCCC/C=C/Cc1ccccc1
InChIInChI=1S/C14H16/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h1,6-10,12-13H,3-5,11H2/b8-6+
InChIKeyGXYPXOAPQNMAMH-SOFGYWHQSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-6-phenylhex-4-enenitrile
CID 14381063
[(E)-oct-2-enyl]benzene
CID 13383320
5-chloropent-2-enylbenzene
CID 79603176
3-[(E)-undec-5-en-10-ynyl]phenol
CID 146683877
ethoxyethane;[(E)-oct-2-enyl]benzene
CID 67924606
4-phenylbut-2-ene-1-thiol
CID 54126363
(Z)-5-phenylpent-3-enenitrile
CID 102025898
6-phenylhexa-2,4-dienylbenzene;titanium
CID 161467723
4-(4-phenylbut-2-enyl)phenol
CID 66608492
4-[(E)-4-phenylbut-2-enyl]phenol
CID 66608491
hex-1-en-5-ynylbenzene
CID 54176357
tridec-12-ynoxymethylbenzene
CID 87241604

Frequently Asked Questions

What is the IUPAC name of [(E)-oct-2-en-7-ynyl]benzene?
The IUPAC name of [(E)-oct-2-en-7-ynyl]benzene (CID 101423636) is [(E)-oct-2-en-7-ynyl]benzene.
What is the SMILES notation for [(E)-oct-2-en-7-ynyl]benzene?
The canonical SMILES for [(E)-oct-2-en-7-ynyl]benzene is C#CCCC/C=C/Cc1ccccc1.
What is the InChIKey of [(E)-oct-2-en-7-ynyl]benzene?
The InChIKey is GXYPXOAPQNMAMH-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H16/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h1,6-10,12-13H,3-5,11H2/b8-6+.
What are the key properties of [(E)-oct-2-en-7-ynyl]benzene?
[(E)-oct-2-en-7-ynyl]benzene has a molecular weight of 184.28 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-oct-2-en-7-ynyl]benzene is sourced from PubChem (CID 101423636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).