methyl 2-chloro-2-(2,2,3-trimethylcyclopropylidene)acetate

C9H13ClO2 — CID 71326728

IUPACmethyl 2-chloro-2-(2,2,3-trimethylcyclopropylidene)acetate
SMILESCOC(=O)C(Cl)=C1C(C)C1(C)C
InChIInChI=1S/C9H13ClO2/c1-5-6(9(5,2)3)7(10)8(11)12-4/h5H,1-4H3
InChIKeyGLWBYJRROFPAKZ-UHFFFAOYSA-N
MW188.65 g/mol
LogP2.33
Rot. Bonds1

About methyl 2-chloro-2-(2,2,3-trimethylcyclopropylidene)acetate

methyl 2-chloro-2-(2,2,3-trimethylcyclopropylidene)acetate (PubChem CID 71326728) has the molecular formula C9H13ClO2 and a molecular weight of 188.65 g/mol. Its IUPAC name is methyl 2-chloro-2-(2,2,3-trimethylcyclopropylidene)acetate.

Molecular Properties

Compound Namemethyl 2-chloro-2-(2,2,3-trimethylcyclopropylidene)acetate
PubChem CID71326728
Molecular FormulaC9H13ClO2
Molecular Weight188.65 g/mol
Exact Mass188.06
IUPAC Namemethyl 2-chloro-2-(2,2,3-trimethylcyclopropylidene)acetate
SMILESCOC(=O)C(Cl)=C1C(C)C1(C)C
InChIInChI=1S/C9H13ClO2/c1-5-6(9(5,2)3)7(10)8(11)12-4/h5H,1-4H3
InChIKeyGLWBYJRROFPAKZ-UHFFFAOYSA-N
XLogP2.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.65
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-chloro-2-(2,2,3-trimethylcyclopropylidene)acetate 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 methyl 2-chloro-2-(2,2,3-trimethylcyclopropylidene)acetate?
The IUPAC name of methyl 2-chloro-2-(2,2,3-trimethylcyclopropylidene)acetate (CID 71326728) is methyl 2-chloro-2-(2,2,3-trimethylcyclopropylidene)acetate.
What is the SMILES notation for methyl 2-chloro-2-(2,2,3-trimethylcyclopropylidene)acetate?
The canonical SMILES for methyl 2-chloro-2-(2,2,3-trimethylcyclopropylidene)acetate is COC(=O)C(Cl)=C1C(C)C1(C)C.
What is the InChIKey of methyl 2-chloro-2-(2,2,3-trimethylcyclopropylidene)acetate?
The InChIKey is GLWBYJRROFPAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClO2/c1-5-6(9(5,2)3)7(10)8(11)12-4/h5H,1-4H3.
What are the key properties of methyl 2-chloro-2-(2,2,3-trimethylcyclopropylidene)acetate?
methyl 2-chloro-2-(2,2,3-trimethylcyclopropylidene)acetate has a molecular weight of 188.65 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-2-(2,2,3-trimethylcyclopropylidene)acetate is sourced from PubChem (CID 71326728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).