(1Z)-cyclooct-1-en-5-yne

C8H10 — CID 5324270

IUPAC(1Z)-cyclooct-1-en-5-yne
SMILESC1#CCC/C=C\CC1
InChIInChI=1S/C8H10/c1-2-4-6-8-7-5-3-1/h1-2H,3-6H2/b2-1-
InChIKeyTZIKXLXKOIRQBI-UPHRSURJSA-N
MW106.17 g/mol
LogP2.12
Rot. Bonds

About (1Z)-cyclooct-1-en-5-yne

(1Z)-cyclooct-1-en-5-yne (PubChem CID 5324270) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is (1Z)-cyclooct-1-en-5-yne.

Molecular Properties

Compound Name(1Z)-cyclooct-1-en-5-yne
PubChem CID5324270
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name(1Z)-cyclooct-1-en-5-yne
SMILESC1#CCC/C=C\CC1
InChIInChI=1S/C8H10/c1-2-4-6-8-7-5-3-1/h1-2H,3-6H2/b2-1-
InChIKeyTZIKXLXKOIRQBI-UPHRSURJSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 52.12
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'}

Analyze (1Z)-cyclooct-1-en-5-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z)-cyclooct-1-en-5-yne?
The IUPAC name of (1Z)-cyclooct-1-en-5-yne (CID 5324270) is (1Z)-cyclooct-1-en-5-yne.
What is the SMILES notation for (1Z)-cyclooct-1-en-5-yne?
The canonical SMILES for (1Z)-cyclooct-1-en-5-yne is C1#CCC/C=C\CC1.
What is the InChIKey of (1Z)-cyclooct-1-en-5-yne?
The InChIKey is TZIKXLXKOIRQBI-UPHRSURJSA-N. The full InChI is InChI=1S/C8H10/c1-2-4-6-8-7-5-3-1/h1-2H,3-6H2/b2-1-.
What are the key properties of (1Z)-cyclooct-1-en-5-yne?
(1Z)-cyclooct-1-en-5-yne has a molecular weight of 106.17 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-cyclooct-1-en-5-yne is sourced from PubChem (CID 5324270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).