5-(2-chloroethylidene)nonane

C11H21Cl — CID 18381959

IUPAC5-(2-chloroethylidene)nonane
SMILESCCCCC(=CCCl)CCCC
InChIInChI=1S/C11H21Cl/c1-3-5-7-11(9-10-12)8-6-4-2/h9H,3-8,10H2,1-2H3
InChIKeyDIQNNEPSPGNXKA-UHFFFAOYSA-N
MW188.74 g/mol
LogP4.53
Rot. Bonds7

About 5-(2-chloroethylidene)nonane

5-(2-chloroethylidene)nonane (PubChem CID 18381959) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is 5-(2-chloroethylidene)nonane.

Molecular Properties

Compound Name5-(2-chloroethylidene)nonane
PubChem CID18381959
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name5-(2-chloroethylidene)nonane
SMILESCCCCC(=CCCl)CCCC
InChIInChI=1S/C11H21Cl/c1-3-5-7-11(9-10-12)8-6-4-2/h9H,3-8,10H2,1-2H3
InChIKeyDIQNNEPSPGNXKA-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.74
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethylidene)nonane?
The IUPAC name of 5-(2-chloroethylidene)nonane (CID 18381959) is 5-(2-chloroethylidene)nonane.
What is the SMILES notation for 5-(2-chloroethylidene)nonane?
The canonical SMILES for 5-(2-chloroethylidene)nonane is CCCCC(=CCCl)CCCC.
What is the InChIKey of 5-(2-chloroethylidene)nonane?
The InChIKey is DIQNNEPSPGNXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl/c1-3-5-7-11(9-10-12)8-6-4-2/h9H,3-8,10H2,1-2H3.
What are the key properties of 5-(2-chloroethylidene)nonane?
5-(2-chloroethylidene)nonane has a molecular weight of 188.74 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethylidene)nonane is sourced from PubChem (CID 18381959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).