1-ethynylcyclonona-1,3-diene

C11H14 — CID 123985924

IUPAC1-ethynylcyclonona-1,3-diene
SMILESC#CC1=CC=CCCCCC1
InChIInChI=1S/C11H14/c1-2-11-9-7-5-3-4-6-8-10-11/h1,5,7,9H,3-4,6,8,10H2
InChIKeyHVAHKIOVJKELDL-UHFFFAOYSA-N
MW146.23 g/mol
LogP3.07
Rot. Bonds

About 1-ethynylcyclonona-1,3-diene

1-ethynylcyclonona-1,3-diene (PubChem CID 123985924) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1-ethynylcyclonona-1,3-diene.

Molecular Properties

Compound Name1-ethynylcyclonona-1,3-diene
PubChem CID123985924
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name1-ethynylcyclonona-1,3-diene
SMILESC#CC1=CC=CCCCCC1
InChIInChI=1S/C11H14/c1-2-11-9-7-5-3-4-6-8-10-11/h1,5,7,9H,3-4,6,8,10H2
InChIKeyHVAHKIOVJKELDL-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbon monoxide;1-ethynylcyclohexa-1,3-diene;iron
CID 10944643
1-cyclodeca-1,3-dien-1-ylcyclodeca-1,3-diene
CID 54521470
(1Z,3Z)-1-methylcyclodeca-1,3-diene
CID 142058765
1-methylcyclodeca-1,3-diene
CID 123810679
(1E,3Z)-cycloocta-1,3-dien-1-amine
CID 22286865
cycloundeca-1,3-diene-1-carbaldehyde
CID 91339803
(1Z)-cyclononacosa-1,3-diene
CID 162365218
(1E,3E)-cycloundeca-1,3-diene
CID 12636669
(3Z)-cyclodocosa-1,3-diene
CID 173020815
(1Z,3Z)-cyclotricosa-1,3-diene
CID 162365220
cyclooctadeca-1,3-diene
CID 54378792
(1Z)-cyclononadeca-1,3-diene
CID 173020870

Frequently Asked Questions

What is the IUPAC name of 1-ethynylcyclonona-1,3-diene?
The IUPAC name of 1-ethynylcyclonona-1,3-diene (CID 123985924) is 1-ethynylcyclonona-1,3-diene.
What is the SMILES notation for 1-ethynylcyclonona-1,3-diene?
The canonical SMILES for 1-ethynylcyclonona-1,3-diene is C#CC1=CC=CCCCCC1.
What is the InChIKey of 1-ethynylcyclonona-1,3-diene?
The InChIKey is HVAHKIOVJKELDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-2-11-9-7-5-3-4-6-8-10-11/h1,5,7,9H,3-4,6,8,10H2.
What are the key properties of 1-ethynylcyclonona-1,3-diene?
1-ethynylcyclonona-1,3-diene has a molecular weight of 146.23 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynylcyclonona-1,3-diene is sourced from PubChem (CID 123985924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).