12-chlorododecan-2-one

C12H23ClO — CID 162396741

IUPAC12-chlorododecan-2-one
SMILESCC(=O)CCCCCCCCCCCl
InChIInChI=1S/C12H23ClO/c1-12(14)10-8-6-4-2-3-5-7-9-11-13/h2-11H2,1H3
InChIKeyZLXQGMNADHOOPD-UHFFFAOYSA-N
MW218.77 g/mol
LogP4.33
Rot. Bonds10

About 12-chlorododecan-2-one

12-chlorododecan-2-one (PubChem CID 162396741) has the molecular formula C12H23ClO and a molecular weight of 218.77 g/mol. Its IUPAC name is 12-chlorododecan-2-one.

Molecular Properties

Compound Name12-chlorododecan-2-one
PubChem CID162396741
Molecular FormulaC12H23ClO
Molecular Weight218.77 g/mol
Exact Mass218.14
IUPAC Name12-chlorododecan-2-one
SMILESCC(=O)CCCCCCCCCCCl
InChIInChI=1S/C12H23ClO/c1-12(14)10-8-6-4-2-3-5-7-9-11-13/h2-11H2,1H3
InChIKeyZLXQGMNADHOOPD-UHFFFAOYSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 54.33
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'}

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Related Compounds

docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
6-(3-chloropropylsulfonyl)hexan-2-one
CID 160941738
1,15-dichloropentadecan-8-one
CID 175201480
chloromethane;11-chloroundecanoic acid
CID 162366476
7-chloroheptanoic acid
CID 13188
octadecakis(hexane);nonan-2-one
CID 173226284
nonan-2-one
CID 13187
decan-2-one
CID 12741
21-hydroxyhenicosan-2-one
CID 153324955
19-hydroxynonadecan-2-one
CID 123829227
nonatriacontan-2-one
CID 141365496

Frequently Asked Questions

What is the IUPAC name of 12-chlorododecan-2-one?
The IUPAC name of 12-chlorododecan-2-one (CID 162396741) is 12-chlorododecan-2-one.
What is the SMILES notation for 12-chlorododecan-2-one?
The canonical SMILES for 12-chlorododecan-2-one is CC(=O)CCCCCCCCCCCl.
What is the InChIKey of 12-chlorododecan-2-one?
The InChIKey is ZLXQGMNADHOOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClO/c1-12(14)10-8-6-4-2-3-5-7-9-11-13/h2-11H2,1H3.
What are the key properties of 12-chlorododecan-2-one?
12-chlorododecan-2-one has a molecular weight of 218.77 g/mol, XLogP of 4.33, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-chlorododecan-2-one is sourced from PubChem (CID 162396741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).