1,10-dichlorodecane-3,8-dione

C10H16Cl2O2 — CID 57043927

IUPAC1,10-dichlorodecane-3,8-dione
SMILESO=C(CCCl)CCCCC(=O)CCCl
InChIInChI=1S/C10H16Cl2O2/c11-7-5-9(13)3-1-2-4-10(14)6-8-12/h1-8H2
InChIKeyAYSJKUMYIJFXHR-UHFFFAOYSA-N
MW239.14 g/mol
LogP2.94
Rot. Bonds9

About 1,10-dichlorodecane-3,8-dione

1,10-dichlorodecane-3,8-dione (PubChem CID 57043927) has the molecular formula C10H16Cl2O2 and a molecular weight of 239.14 g/mol. Its IUPAC name is 1,10-dichlorodecane-3,8-dione.

Molecular Properties

Compound Name1,10-dichlorodecane-3,8-dione
PubChem CID57043927
Molecular FormulaC10H16Cl2O2
Molecular Weight239.14 g/mol
Exact Mass238.05
IUPAC Name1,10-dichlorodecane-3,8-dione
SMILESO=C(CCCl)CCCCC(=O)CCCl
InChIInChI=1S/C10H16Cl2O2/c11-7-5-9(13)3-1-2-4-10(14)6-8-12/h1-8H2
InChIKeyAYSJKUMYIJFXHR-UHFFFAOYSA-N
XLogP2.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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4-chloro-1-sulfanylbutan-2-one
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methyl 7-chloro-5-oxoheptanoate
CID 14865794
1,11-dichloroundecane-5,7-dione
CID 154391115
7-chloro-1-fluoroheptan-3-one
CID 57067675
(Z)-1-chloropentacos-16-en-3-one
CID 162712776
1-chloropentacosan-7-one
CID 162712808
12-chlorododecan-6-one
CID 162712835
1-chlorodecan-4-one
CID 65439314
11-chloroundecan-5-one
CID 162712825

Frequently Asked Questions

What is the IUPAC name of 1,10-dichlorodecane-3,8-dione?
The IUPAC name of 1,10-dichlorodecane-3,8-dione (CID 57043927) is 1,10-dichlorodecane-3,8-dione.
What is the SMILES notation for 1,10-dichlorodecane-3,8-dione?
The canonical SMILES for 1,10-dichlorodecane-3,8-dione is O=C(CCCl)CCCCC(=O)CCCl.
What is the InChIKey of 1,10-dichlorodecane-3,8-dione?
The InChIKey is AYSJKUMYIJFXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2O2/c11-7-5-9(13)3-1-2-4-10(14)6-8-12/h1-8H2.
What are the key properties of 1,10-dichlorodecane-3,8-dione?
1,10-dichlorodecane-3,8-dione has a molecular weight of 239.14 g/mol, XLogP of 2.94, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dichlorodecane-3,8-dione is sourced from PubChem (CID 57043927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).