1,1-dichloronona-1,3-diene

C9H14Cl2 — CID 54169754

IUPAC1,1-dichloronona-1,3-diene
SMILESCCCCCC=CC=C(Cl)Cl
InChIInChI=1S/C9H14Cl2/c1-2-3-4-5-6-7-8-9(10)11/h6-8H,2-5H2,1H3
InChIKeyOUEKGNUXWDRIDA-UHFFFAOYSA-N
MW193.12 g/mol
LogP4.44
Rot. Bonds5

About 1,1-dichloronona-1,3-diene

1,1-dichloronona-1,3-diene (PubChem CID 54169754) has the molecular formula C9H14Cl2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 1,1-dichloronona-1,3-diene.

Molecular Properties

Compound Name1,1-dichloronona-1,3-diene
PubChem CID54169754
Molecular FormulaC9H14Cl2
Molecular Weight193.12 g/mol
Exact Mass192.05
IUPAC Name1,1-dichloronona-1,3-diene
SMILESCCCCCC=CC=C(Cl)Cl
InChIInChI=1S/C9H14Cl2/c1-2-3-4-5-6-7-8-9(10)11/h6-8H,2-5H2,1H3
InChIKeyOUEKGNUXWDRIDA-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloronona-1,3-diene?
The IUPAC name of 1,1-dichloronona-1,3-diene (CID 54169754) is 1,1-dichloronona-1,3-diene.
What is the SMILES notation for 1,1-dichloronona-1,3-diene?
The canonical SMILES for 1,1-dichloronona-1,3-diene is CCCCCC=CC=C(Cl)Cl.
What is the InChIKey of 1,1-dichloronona-1,3-diene?
The InChIKey is OUEKGNUXWDRIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2/c1-2-3-4-5-6-7-8-9(10)11/h6-8H,2-5H2,1H3.
What are the key properties of 1,1-dichloronona-1,3-diene?
1,1-dichloronona-1,3-diene has a molecular weight of 193.12 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloronona-1,3-diene is sourced from PubChem (CID 54169754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).