5,5-dichloropentanoyl 5,5-dichloropentanoate

C10H14Cl4O3 — CID 139894878

IUPAC5,5-dichloropentanoyl 5,5-dichloropentanoate
SMILESO=C(CCCC(Cl)Cl)OC(=O)CCCC(Cl)Cl
InChIInChI=1S/C10H14Cl4O3/c11-7(12)3-1-5-9(15)17-10(16)6-2-4-8(13)14/h7-8H,1-6H2
InChIKeyYJHVRKMXLAVZCZ-UHFFFAOYSA-N
MW324.03 g/mol
LogP4.00
Rot. Bonds8

About 5,5-dichloropentanoyl 5,5-dichloropentanoate

5,5-dichloropentanoyl 5,5-dichloropentanoate (PubChem CID 139894878) has the molecular formula C10H14Cl4O3 and a molecular weight of 324.03 g/mol. Its IUPAC name is 5,5-dichloropentanoyl 5,5-dichloropentanoate.

Molecular Properties

Compound Name5,5-dichloropentanoyl 5,5-dichloropentanoate
PubChem CID139894878
Molecular FormulaC10H14Cl4O3
Molecular Weight324.03 g/mol
Exact Mass321.97
IUPAC Name5,5-dichloropentanoyl 5,5-dichloropentanoate
SMILESO=C(CCCC(Cl)Cl)OC(=O)CCCC(Cl)Cl
InChIInChI=1S/C10H14Cl4O3/c11-7(12)3-1-5-9(15)17-10(16)6-2-4-8(13)14/h7-8H,1-6H2
InChIKeyYJHVRKMXLAVZCZ-UHFFFAOYSA-N
XLogP4.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.03
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 8,8-dichlorooctanoate
CID 141168236
7-methyloctanoyl 16-methylheptadecanoate
CID 140995309
bis(6-[6-(5-carboxypentanoyloxy)-6-oxohexanoyl]oxy-6-oxohexanoic acid);hexanedioic acid
CID 135365156
bis(6-oxohexanoyl) hexanedioate
CID 166709220
propan-2-yl 5-chlorohexanoate
CID 23047200
bis(5-oxopentanoyl) decanedioate
CID 175084020
bis(4-[8-(3-carboxypropanoyloxy)-8-oxooctanoyl]oxy-4-oxobutanoic acid);pentanedioic acid
CID 174936379
bis(6-oxohexanoyl) dodecanedioate
CID 57274603
30-[28-(29-carboxynonacosanoyloxy)-28-oxooctacosanoyl]oxy-30-oxotriacontanoic acid
CID 57255459
8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid
CID 87223442
dipentanoyl hexanedioate
CID 174373362
6-[8-(5-carboxypentanoyloxy)-8-oxooctanoyl]oxy-6-oxohexanoic acid
CID 87893152

Frequently Asked Questions

What is the IUPAC name of 5,5-dichloropentanoyl 5,5-dichloropentanoate?
The IUPAC name of 5,5-dichloropentanoyl 5,5-dichloropentanoate (CID 139894878) is 5,5-dichloropentanoyl 5,5-dichloropentanoate.
What is the SMILES notation for 5,5-dichloropentanoyl 5,5-dichloropentanoate?
The canonical SMILES for 5,5-dichloropentanoyl 5,5-dichloropentanoate is O=C(CCCC(Cl)Cl)OC(=O)CCCC(Cl)Cl.
What is the InChIKey of 5,5-dichloropentanoyl 5,5-dichloropentanoate?
The InChIKey is YJHVRKMXLAVZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl4O3/c11-7(12)3-1-5-9(15)17-10(16)6-2-4-8(13)14/h7-8H,1-6H2.
What are the key properties of 5,5-dichloropentanoyl 5,5-dichloropentanoate?
5,5-dichloropentanoyl 5,5-dichloropentanoate has a molecular weight of 324.03 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dichloropentanoyl 5,5-dichloropentanoate is sourced from PubChem (CID 139894878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).