5-prop-2-ynyldeca-1,9-diene

C13H20 — CID 135073215

IUPAC5-prop-2-ynyldeca-1,9-diene
SMILESC#CCC(CCC=C)CCCC=C
InChIInChI=1S/C13H20/c1-4-7-9-12-13(10-6-3)11-8-5-2/h3-5,13H,1-2,7-12H2
InChIKeyWUQNZZDAVHFLPO-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.95
Rot. Bonds8

About 5-prop-2-ynyldeca-1,9-diene

5-prop-2-ynyldeca-1,9-diene (PubChem CID 135073215) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 5-prop-2-ynyldeca-1,9-diene.

Molecular Properties

Compound Name5-prop-2-ynyldeca-1,9-diene
PubChem CID135073215
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name5-prop-2-ynyldeca-1,9-diene
SMILESC#CCC(CCC=C)CCCC=C
InChIInChI=1S/C13H20/c1-4-7-9-12-13(10-6-3)11-8-5-2/h3-5,13H,1-2,7-12H2
InChIKeyWUQNZZDAVHFLPO-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.95
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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Frequently Asked Questions

What is the IUPAC name of 5-prop-2-ynyldeca-1,9-diene?
The IUPAC name of 5-prop-2-ynyldeca-1,9-diene (CID 135073215) is 5-prop-2-ynyldeca-1,9-diene.
What is the SMILES notation for 5-prop-2-ynyldeca-1,9-diene?
The canonical SMILES for 5-prop-2-ynyldeca-1,9-diene is C#CCC(CCC=C)CCCC=C.
What is the InChIKey of 5-prop-2-ynyldeca-1,9-diene?
The InChIKey is WUQNZZDAVHFLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-4-7-9-12-13(10-6-3)11-8-5-2/h3-5,13H,1-2,7-12H2.
What are the key properties of 5-prop-2-ynyldeca-1,9-diene?
5-prop-2-ynyldeca-1,9-diene has a molecular weight of 176.30 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-ynyldeca-1,9-diene is sourced from PubChem (CID 135073215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).