2,2,3,3-tetraethylcyclopropane-1-carbonyl chloride

C12H21ClO — CID 139707489

IUPAC2,2,3,3-tetraethylcyclopropane-1-carbonyl chloride
SMILESCCC1(CC)C(C(=O)Cl)C1(CC)CC
InChIInChI=1S/C12H21ClO/c1-5-11(6-2)9(10(13)14)12(11,7-3)8-4/h9H,5-8H2,1-4H3
InChIKeyYAMHTWXYDHMSQT-UHFFFAOYSA-N
MW216.75 g/mol
LogP3.99
Rot. Bonds5

About 2,2,3,3-tetraethylcyclopropane-1-carbonyl chloride

2,2,3,3-tetraethylcyclopropane-1-carbonyl chloride (PubChem CID 139707489) has the molecular formula C12H21ClO and a molecular weight of 216.75 g/mol. Its IUPAC name is 2,2,3,3-tetraethylcyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name2,2,3,3-tetraethylcyclopropane-1-carbonyl chloride
PubChem CID139707489
Molecular FormulaC12H21ClO
Molecular Weight216.75 g/mol
Exact Mass216.13
IUPAC Name2,2,3,3-tetraethylcyclopropane-1-carbonyl chloride
SMILESCCC1(CC)C(C(=O)Cl)C1(CC)CC
InChIInChI=1S/C12H21ClO/c1-5-11(6-2)9(10(13)14)12(11,7-3)8-4/h9H,5-8H2,1-4H3
InChIKeyYAMHTWXYDHMSQT-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.75
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetraethylcyclopropane-1-carbonyl chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetraethylcyclopropane-1-carbonyl chloride?
The IUPAC name of 2,2,3,3-tetraethylcyclopropane-1-carbonyl chloride (CID 139707489) is 2,2,3,3-tetraethylcyclopropane-1-carbonyl chloride.
What is the SMILES notation for 2,2,3,3-tetraethylcyclopropane-1-carbonyl chloride?
The canonical SMILES for 2,2,3,3-tetraethylcyclopropane-1-carbonyl chloride is CCC1(CC)C(C(=O)Cl)C1(CC)CC.
What is the InChIKey of 2,2,3,3-tetraethylcyclopropane-1-carbonyl chloride?
The InChIKey is YAMHTWXYDHMSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClO/c1-5-11(6-2)9(10(13)14)12(11,7-3)8-4/h9H,5-8H2,1-4H3.
What are the key properties of 2,2,3,3-tetraethylcyclopropane-1-carbonyl chloride?
2,2,3,3-tetraethylcyclopropane-1-carbonyl chloride has a molecular weight of 216.75 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetraethylcyclopropane-1-carbonyl chloride is sourced from PubChem (CID 139707489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).