2-(5-chloro-2,2-dimethylpentanoyl)oxyethyl 5-chloro-2,2-dimethylpentanoate

C16H28Cl2O4 — CID 19745520

IUPAC2-(5-chloro-2,2-dimethylpentanoyl)oxyethyl 5-chloro-2,2-dimethylpentanoate
SMILESCC(C)(CCCCl)C(=O)OCCOC(=O)C(C)(C)CCCCl
InChIInChI=1S/C16H28Cl2O4/c1-15(2,7-5-9-17)13(19)21-11-12-22-14(20)16(3,4)8-6-10-18/h5-12H2,1-4H3
InChIKeyMUAIMVMLAIRKHG-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.16
Rot. Bonds11

About 2-(5-chloro-2,2-dimethylpentanoyl)oxyethyl 5-chloro-2,2-dimethylpentanoate

2-(5-chloro-2,2-dimethylpentanoyl)oxyethyl 5-chloro-2,2-dimethylpentanoate (PubChem CID 19745520) has the molecular formula C16H28Cl2O4 and a molecular weight of 355.30 g/mol. Its IUPAC name is 2-(5-chloro-2,2-dimethylpentanoyl)oxyethyl 5-chloro-2,2-dimethylpentanoate.

Molecular Properties

Compound Name2-(5-chloro-2,2-dimethylpentanoyl)oxyethyl 5-chloro-2,2-dimethylpentanoate
PubChem CID19745520
Molecular FormulaC16H28Cl2O4
Molecular Weight355.30 g/mol
Exact Mass354.14
IUPAC Name2-(5-chloro-2,2-dimethylpentanoyl)oxyethyl 5-chloro-2,2-dimethylpentanoate
SMILESCC(C)(CCCCl)C(=O)OCCOC(=O)C(C)(C)CCCCl
InChIInChI=1S/C16H28Cl2O4/c1-15(2,7-5-9-17)13(19)21-11-12-22-14(20)16(3,4)8-6-10-18/h5-12H2,1-4H3
InChIKeyMUAIMVMLAIRKHG-UHFFFAOYSA-N
XLogP4.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-[2-(2,2,6,6-tetramethyl-7-oxooctanoyl)oxyethoxy]ethyl 2,2,6,6-tetramethyl-7-oxooctanoate
CID 118372684
chloromethyl 2,2-dimethylhexanoate
CID 87893162
2-hydroxyethyl 2,2-dimethylhexanoate
CID 59773865
propyl 2,2-dimethylhexadecanoate
CID 57107993
3-aminopropyl 2,2-dimethylhexanoate
CID 130456484
2-cyanoethyl 5-cyano-2,2-dimethylpentanoate
CID 88550008
ethyl 6-(2,2-dimethylhexanoyloxy)-2,2-dimethylhexanoate
CID 175057143
3-hydroxypropyl 3-hydroxy-2,2-dimethylpropanoate
CID 56633578
heptyl 2,2-dimethylpentanoate
CID 138486216
2-(2,2,2-trifluoroacetyl)oxyethyl 2,2-dimethylpropanoate
CID 90159990
ethyl 6-[2-(6-bromo-2,2-dimethylhexanoyl)oxyethoxy]-2,2-dimethylhexanoate
CID 145082384
ethane;undecyl 6-bromo-2,2-dimethylhexanoate
CID 170975848

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,2-dimethylpentanoyl)oxyethyl 5-chloro-2,2-dimethylpentanoate?
The IUPAC name of 2-(5-chloro-2,2-dimethylpentanoyl)oxyethyl 5-chloro-2,2-dimethylpentanoate (CID 19745520) is 2-(5-chloro-2,2-dimethylpentanoyl)oxyethyl 5-chloro-2,2-dimethylpentanoate.
What is the SMILES notation for 2-(5-chloro-2,2-dimethylpentanoyl)oxyethyl 5-chloro-2,2-dimethylpentanoate?
The canonical SMILES for 2-(5-chloro-2,2-dimethylpentanoyl)oxyethyl 5-chloro-2,2-dimethylpentanoate is CC(C)(CCCCl)C(=O)OCCOC(=O)C(C)(C)CCCCl.
What is the InChIKey of 2-(5-chloro-2,2-dimethylpentanoyl)oxyethyl 5-chloro-2,2-dimethylpentanoate?
The InChIKey is MUAIMVMLAIRKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28Cl2O4/c1-15(2,7-5-9-17)13(19)21-11-12-22-14(20)16(3,4)8-6-10-18/h5-12H2,1-4H3.
What are the key properties of 2-(5-chloro-2,2-dimethylpentanoyl)oxyethyl 5-chloro-2,2-dimethylpentanoate?
2-(5-chloro-2,2-dimethylpentanoyl)oxyethyl 5-chloro-2,2-dimethylpentanoate has a molecular weight of 355.30 g/mol, XLogP of 4.16, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,2-dimethylpentanoyl)oxyethyl 5-chloro-2,2-dimethylpentanoate is sourced from PubChem (CID 19745520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).