(1Z)-5-prop-2-ynylcyclooctene

C11H16 — CID 135075741

IUPAC(1Z)-5-prop-2-ynylcyclooctene
SMILESC#CCC1CC/C=C\CCC1
InChIInChI=1S/C11H16/c1-2-8-11-9-6-4-3-5-7-10-11/h1,3-4,11H,5-10H2/b4-3-
InChIKeyZWMMHJCUFAIHMV-ARJAWSKDSA-N
MW148.25 g/mol
LogP3.15
Rot. Bonds1

About (1Z)-5-prop-2-ynylcyclooctene

(1Z)-5-prop-2-ynylcyclooctene (PubChem CID 135075741) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (1Z)-5-prop-2-ynylcyclooctene.

Molecular Properties

Compound Name(1Z)-5-prop-2-ynylcyclooctene
PubChem CID135075741
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(1Z)-5-prop-2-ynylcyclooctene
SMILESC#CCC1CC/C=C\CCC1
InChIInChI=1S/C11H16/c1-2-8-11-9-6-4-3-5-7-10-11/h1,3-4,11H,5-10H2/b4-3-
InChIKeyZWMMHJCUFAIHMV-ARJAWSKDSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.15
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
(Z)-Cyclooctene, 5-methyl
CID 5352588
3-(2-Propenyl)-cyclooctene
CID 5365715
4-Hex-1-en-5-yn-2-yl-1-methylcyclohexene
CID 177866085
(1E)-5-methylcyclooctene
CID 140764486
(1Z)-5-butan-2-yl-3-ethynyl-6-fluoro-7-methylcyclooctene
CID 167223403
Cyclooctene, 5,6-diethenyl-
CID 5364371
Cyclooctene, 4-ethenyl-
CID 5365611
5-Ethynyldeca-1,9-diene
CID 11708112
5-Ethynyl-2-methylundec-2-ene
CID 13182632
4-Oct-1-ynylcyclohexene
CID 86111047

Frequently Asked Questions

What is the IUPAC name of (1Z)-5-prop-2-ynylcyclooctene?
The IUPAC name of (1Z)-5-prop-2-ynylcyclooctene (CID 135075741) is (1Z)-5-prop-2-ynylcyclooctene.
What is the SMILES notation for (1Z)-5-prop-2-ynylcyclooctene?
The canonical SMILES for (1Z)-5-prop-2-ynylcyclooctene is C#CCC1CC/C=C\CCC1.
What is the InChIKey of (1Z)-5-prop-2-ynylcyclooctene?
The InChIKey is ZWMMHJCUFAIHMV-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H16/c1-2-8-11-9-6-4-3-5-7-10-11/h1,3-4,11H,5-10H2/b4-3-.
What are the key properties of (1Z)-5-prop-2-ynylcyclooctene?
(1Z)-5-prop-2-ynylcyclooctene has a molecular weight of 148.25 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-5-prop-2-ynylcyclooctene is sourced from PubChem (CID 135075741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).