1-chloroundeca-1,3,5,7,9-pentayne

C11H3Cl — CID 89297020

IUPAC1-chloroundeca-1,3,5,7,9-pentayne
SMILESCC#CC#CC#CC#CC#CCl
InChIInChI=1S/C11H3Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h1H3
InChIKeyJOLGXOYQPNHDHM-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.22
Rot. Bonds

About 1-chloroundeca-1,3,5,7,9-pentayne

1-chloroundeca-1,3,5,7,9-pentayne (PubChem CID 89297020) has the molecular formula C11H3Cl and a molecular weight of 170.60 g/mol. Its IUPAC name is 1-chloroundeca-1,3,5,7,9-pentayne.

Molecular Properties

Compound Name1-chloroundeca-1,3,5,7,9-pentayne
PubChem CID89297020
Molecular FormulaC11H3Cl
Molecular Weight170.60 g/mol
Exact Mass169.99
IUPAC Name1-chloroundeca-1,3,5,7,9-pentayne
SMILESCC#CC#CC#CC#CC#CCl
InChIInChI=1S/C11H3Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h1H3
InChIKeyJOLGXOYQPNHDHM-UHFFFAOYSA-N
XLogP1.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloroundeca-1,3,5,7,9-pentayne?
The IUPAC name of 1-chloroundeca-1,3,5,7,9-pentayne (CID 89297020) is 1-chloroundeca-1,3,5,7,9-pentayne.
What is the SMILES notation for 1-chloroundeca-1,3,5,7,9-pentayne?
The canonical SMILES for 1-chloroundeca-1,3,5,7,9-pentayne is CC#CC#CC#CC#CC#CCl.
What is the InChIKey of 1-chloroundeca-1,3,5,7,9-pentayne?
The InChIKey is JOLGXOYQPNHDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h1H3.
What are the key properties of 1-chloroundeca-1,3,5,7,9-pentayne?
1-chloroundeca-1,3,5,7,9-pentayne has a molecular weight of 170.60 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroundeca-1,3,5,7,9-pentayne is sourced from PubChem (CID 89297020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).