(1Z)-5-ethynylcyclooctene

C10H14 — CID 135060829

IUPAC(1Z)-5-ethynylcyclooctene
SMILESC#CC1CC/C=C\CCC1
InChIInChI=1S/C10H14/c1-2-10-8-6-4-3-5-7-9-10/h1,3-4,10H,5-9H2/b4-3-
InChIKeyCTPFEHJSXMNRRL-ARJAWSKDSA-N
MW134.22 g/mol
LogP2.76
Rot. Bonds

About (1Z)-5-ethynylcyclooctene

(1Z)-5-ethynylcyclooctene (PubChem CID 135060829) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is (1Z)-5-ethynylcyclooctene.

Molecular Properties

Compound Name(1Z)-5-ethynylcyclooctene
PubChem CID135060829
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name(1Z)-5-ethynylcyclooctene
SMILESC#CC1CC/C=C\CCC1
InChIInChI=1S/C10H14/c1-2-10-8-6-4-3-5-7-9-10/h1,3-4,10H,5-9H2/b4-3-
InChIKeyCTPFEHJSXMNRRL-ARJAWSKDSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.76
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

Cyclohexene, 4-ethynyl
CID 524215
3-(2-Propynyl)cyclohexene
CID 41677
3-Ethynylcyclohexene
CID 11378454
(1Z)-5-butan-2-yl-3-ethynyl-6-fluoro-7-methylcyclooctene
CID 167223403
5-Ethynyldeca-1,9-diene
CID 11708112
Cyclopent-2-enyl cycloocta-1,3-dien-5-in
CID 129651526
(1S,5R,7R)-7-ethynylbicyclo[3.3.1]non-2-ene
CID 134978118
(1S,4R)-2-pent-4-ynylbicyclo[2.2.1]hepta-2,5-diene
CID 134994742
5-Prop-2-ynyldeca-1,9-diene
CID 135073215
(1Z)-5-prop-2-ynylcyclooctene
CID 135075741
3-But-3-ynylcyclopentene
CID 11446313
4-(Prop-2-yn-1-yl)cyclohex-1-ene
CID 14247471

Frequently Asked Questions

What is the IUPAC name of (1Z)-5-ethynylcyclooctene?
The IUPAC name of (1Z)-5-ethynylcyclooctene (CID 135060829) is (1Z)-5-ethynylcyclooctene.
What is the SMILES notation for (1Z)-5-ethynylcyclooctene?
The canonical SMILES for (1Z)-5-ethynylcyclooctene is C#CC1CC/C=C\CCC1.
What is the InChIKey of (1Z)-5-ethynylcyclooctene?
The InChIKey is CTPFEHJSXMNRRL-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H14/c1-2-10-8-6-4-3-5-7-9-10/h1,3-4,10H,5-9H2/b4-3-.
What are the key properties of (1Z)-5-ethynylcyclooctene?
(1Z)-5-ethynylcyclooctene has a molecular weight of 134.22 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-5-ethynylcyclooctene is sourced from PubChem (CID 135060829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).