2,9-dichloronon-1-en-1-one

C9H14Cl2O — CID 174703689

IUPAC2,9-dichloronon-1-en-1-one
SMILESO=C=C(Cl)CCCCCCCCl
InChIInChI=1S/C9H14Cl2O/c10-7-5-3-1-2-4-6-9(11)8-12/h1-7H2
InChIKeyNYGWRQFKHOLZIL-UHFFFAOYSA-N
MW209.12 g/mol
LogP3.52
Rot. Bonds7

About 2,9-dichloronon-1-en-1-one

2,9-dichloronon-1-en-1-one (PubChem CID 174703689) has the molecular formula C9H14Cl2O and a molecular weight of 209.12 g/mol. Its IUPAC name is 2,9-dichloronon-1-en-1-one.

Molecular Properties

Compound Name2,9-dichloronon-1-en-1-one
PubChem CID174703689
Molecular FormulaC9H14Cl2O
Molecular Weight209.12 g/mol
Exact Mass208.04
IUPAC Name2,9-dichloronon-1-en-1-one
SMILESO=C=C(Cl)CCCCCCCCl
InChIInChI=1S/C9H14Cl2O/c10-7-5-3-1-2-4-6-9(11)8-12/h1-7H2
InChIKeyNYGWRQFKHOLZIL-UHFFFAOYSA-N
XLogP3.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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12-chlorododecan-2-one
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chloromethane;11-chloroundecanoic acid
CID 162366476
2,6-dichlorohex-1-ene
CID 13050386
30-chloro-N-hydroxytriacontanamide
CID 87686920
14-chloro-N-hydroxytetradecanamide
CID 87682446
33-chloro-N-hydroxytritriacontanamide
CID 87686869
1,11-dichloroundecane-5,7-dione
CID 154391115
alumane;1,8-dichlorooctane
CID 173313045
11-chloroundecan-5-one
CID 162712825

Frequently Asked Questions

What is the IUPAC name of 2,9-dichloronon-1-en-1-one?
The IUPAC name of 2,9-dichloronon-1-en-1-one (CID 174703689) is 2,9-dichloronon-1-en-1-one.
What is the SMILES notation for 2,9-dichloronon-1-en-1-one?
The canonical SMILES for 2,9-dichloronon-1-en-1-one is O=C=C(Cl)CCCCCCCCl.
What is the InChIKey of 2,9-dichloronon-1-en-1-one?
The InChIKey is NYGWRQFKHOLZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2O/c10-7-5-3-1-2-4-6-9(11)8-12/h1-7H2.
What are the key properties of 2,9-dichloronon-1-en-1-one?
2,9-dichloronon-1-en-1-one has a molecular weight of 209.12 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dichloronon-1-en-1-one is sourced from PubChem (CID 174703689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).