3-ethoxy-2,2-dimethylpropanoyl chloride

C7H13ClO2 — CID 14459646

IUPAC3-ethoxy-2,2-dimethylpropanoyl chloride
SMILESCCOCC(C)(C)C(=O)Cl
InChIInChI=1S/C7H13ClO2/c1-4-10-5-7(2,3)6(8)9/h4-5H2,1-3H3
InChIKeySLUPBOXSOHYAOG-UHFFFAOYSA-N
MW164.63 g/mol
LogP1.81
Rot. Bonds4

About 3-ethoxy-2,2-dimethylpropanoyl chloride

3-ethoxy-2,2-dimethylpropanoyl chloride (PubChem CID 14459646) has the molecular formula C7H13ClO2 and a molecular weight of 164.63 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethylpropanoyl chloride.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethylpropanoyl chloride
PubChem CID14459646
Molecular FormulaC7H13ClO2
Molecular Weight164.63 g/mol
Exact Mass164.06
IUPAC Name3-ethoxy-2,2-dimethylpropanoyl chloride
SMILESCCOCC(C)(C)C(=O)Cl
InChIInChI=1S/C7H13ClO2/c1-4-10-5-7(2,3)6(8)9/h4-5H2,1-3H3
InChIKeySLUPBOXSOHYAOG-UHFFFAOYSA-N
XLogP1.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.63
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 3-ethoxy-2,2-dimethylpropanoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chloro-2,2-dimethyl-3-oxopropyl) 2,2-dimethylpropanoate
CID 123416365
2-(ethoxymethyl)-3,3-dimethyl-2-propan-2-ylpentanoyl chloride
CID 87163132
ethyl 5-chloro-2,2,4,4-tetramethyl-5-oxopentanoate
CID 134256135
6-(6-chloro-5,5-dimethyl-6-oxohexoxy)-2,2-dimethylhexanoyl chloride
CID 87462596
ethane;1-ethoxy-2,2-dimethylpropane
CID 155734553
decyl 3-ethoxy-2,2-dimethylpropanoate
CID 175299622
3-ethoxy-2-methyl-2-phenylpropanoic acid
CID 174890846
magnesium;2-chloro-1-ethoxy-2-methylpropane;hydride
CID 173086358
3-ethoxy-2,2-dimethylpropan-1-ol
CID 12698285
4-amino-1-ethoxy-3,3-dimethylbutan-2-one
CID 116599948
2,2-dimethyldodecanoyl chloride
CID 15656432
1-methylethane-1,1,2-tricarbonyl chloride
CID 140524572

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethylpropanoyl chloride?
The IUPAC name of 3-ethoxy-2,2-dimethylpropanoyl chloride (CID 14459646) is 3-ethoxy-2,2-dimethylpropanoyl chloride.
What is the SMILES notation for 3-ethoxy-2,2-dimethylpropanoyl chloride?
The canonical SMILES for 3-ethoxy-2,2-dimethylpropanoyl chloride is CCOCC(C)(C)C(=O)Cl.
What is the InChIKey of 3-ethoxy-2,2-dimethylpropanoyl chloride?
The InChIKey is SLUPBOXSOHYAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO2/c1-4-10-5-7(2,3)6(8)9/h4-5H2,1-3H3.
What are the key properties of 3-ethoxy-2,2-dimethylpropanoyl chloride?
3-ethoxy-2,2-dimethylpropanoyl chloride has a molecular weight of 164.63 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethylpropanoyl chloride is sourced from PubChem (CID 14459646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).