1-chlorodecan-4-one

C10H19ClO — CID 65439314

IUPAC1-chlorodecan-4-one
SMILESCCCCCCC(=O)CCCCl
InChIInChI=1S/C10H19ClO/c1-2-3-4-5-7-10(12)8-6-9-11/h2-9H2,1H3
InChIKeyVMPOMRRUOAZTMR-UHFFFAOYSA-N
MW190.71 g/mol
LogP3.54
Rot. Bonds8

About 1-chlorodecan-4-one

1-chlorodecan-4-one (PubChem CID 65439314) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is 1-chlorodecan-4-one.

Molecular Properties

Compound Name1-chlorodecan-4-one
PubChem CID65439314
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name1-chlorodecan-4-one
SMILESCCCCCCC(=O)CCCCl
InChIInChI=1S/C10H19ClO/c1-2-3-4-5-7-10(12)8-6-9-11/h2-9H2,1H3
InChIKeyVMPOMRRUOAZTMR-UHFFFAOYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 53.54
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

12-chlorododecan-6-one
CID 162712835
1-chloropentacosan-7-one
CID 162712808
1-chlorononan-3-one
CID 11062938
1-chloropentadecan-3-one
CID 162712829
11-chloroundecan-5-one
CID 162712825
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687

Frequently Asked Questions

What is the IUPAC name of 1-chlorodecan-4-one?
The IUPAC name of 1-chlorodecan-4-one (CID 65439314) is 1-chlorodecan-4-one.
What is the SMILES notation for 1-chlorodecan-4-one?
The canonical SMILES for 1-chlorodecan-4-one is CCCCCCC(=O)CCCCl.
What is the InChIKey of 1-chlorodecan-4-one?
The InChIKey is VMPOMRRUOAZTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO/c1-2-3-4-5-7-10(12)8-6-9-11/h2-9H2,1H3.
What are the key properties of 1-chlorodecan-4-one?
1-chlorodecan-4-one has a molecular weight of 190.71 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorodecan-4-one is sourced from PubChem (CID 65439314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).