methyl 2-chloro-2-(2-methylcyclopropylidene)acetate

C7H9ClO2 — CID 71326721

IUPACmethyl 2-chloro-2-(2-methylcyclopropylidene)acetate
SMILESCOC(=O)C(Cl)=C1CC1C
InChIInChI=1S/C7H9ClO2/c1-4-3-5(4)6(8)7(9)10-2/h4H,3H2,1-2H3
InChIKeyFDRPUBDGLAKUHT-UHFFFAOYSA-N
MW160.60 g/mol
LogP1.69
Rot. Bonds1

About methyl 2-chloro-2-(2-methylcyclopropylidene)acetate

methyl 2-chloro-2-(2-methylcyclopropylidene)acetate (PubChem CID 71326721) has the molecular formula C7H9ClO2 and a molecular weight of 160.60 g/mol. Its IUPAC name is methyl 2-chloro-2-(2-methylcyclopropylidene)acetate.

Molecular Properties

Compound Namemethyl 2-chloro-2-(2-methylcyclopropylidene)acetate
PubChem CID71326721
Molecular FormulaC7H9ClO2
Molecular Weight160.60 g/mol
Exact Mass160.03
IUPAC Namemethyl 2-chloro-2-(2-methylcyclopropylidene)acetate
SMILESCOC(=O)C(Cl)=C1CC1C
InChIInChI=1S/C7H9ClO2/c1-4-3-5(4)6(8)7(9)10-2/h4H,3H2,1-2H3
InChIKeyFDRPUBDGLAKUHT-UHFFFAOYSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-2-(2-methylcyclopropylidene)acetate?
The IUPAC name of methyl 2-chloro-2-(2-methylcyclopropylidene)acetate (CID 71326721) is methyl 2-chloro-2-(2-methylcyclopropylidene)acetate.
What is the SMILES notation for methyl 2-chloro-2-(2-methylcyclopropylidene)acetate?
The canonical SMILES for methyl 2-chloro-2-(2-methylcyclopropylidene)acetate is COC(=O)C(Cl)=C1CC1C.
What is the InChIKey of methyl 2-chloro-2-(2-methylcyclopropylidene)acetate?
The InChIKey is FDRPUBDGLAKUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO2/c1-4-3-5(4)6(8)7(9)10-2/h4H,3H2,1-2H3.
What are the key properties of methyl 2-chloro-2-(2-methylcyclopropylidene)acetate?
methyl 2-chloro-2-(2-methylcyclopropylidene)acetate has a molecular weight of 160.60 g/mol, XLogP of 1.69, 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-methylcyclopropylidene)acetate is sourced from PubChem (CID 71326721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).