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

C10H15ClO2 — CID 12823784

IUPACmethyl 2-chloro-2-(2,2,3,3-tetramethylcyclopropylidene)acetate
SMILESCOC(=O)C(Cl)=C1C(C)(C)C1(C)C
InChIInChI=1S/C10H15ClO2/c1-9(2)7(10(9,3)4)6(11)8(12)13-5/h1-5H3
InChIKeyJRCGSFSUFIIBRC-UHFFFAOYSA-N
MW202.68 g/mol
LogP2.72
Rot. Bonds1

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

methyl 2-chloro-2-(2,2,3,3-tetramethylcyclopropylidene)acetate (PubChem CID 12823784) has the molecular formula C10H15ClO2 and a molecular weight of 202.68 g/mol. Its IUPAC name is methyl 2-chloro-2-(2,2,3,3-tetramethylcyclopropylidene)acetate.

Molecular Properties

Compound Namemethyl 2-chloro-2-(2,2,3,3-tetramethylcyclopropylidene)acetate
PubChem CID12823784
Molecular FormulaC10H15ClO2
Molecular Weight202.68 g/mol
Exact Mass202.08
IUPAC Namemethyl 2-chloro-2-(2,2,3,3-tetramethylcyclopropylidene)acetate
SMILESCOC(=O)C(Cl)=C1C(C)(C)C1(C)C
InChIInChI=1S/C10H15ClO2/c1-9(2)7(10(9,3)4)6(11)8(12)13-5/h1-5H3
InChIKeyJRCGSFSUFIIBRC-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 52.72
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-(2,2,3,3-tetramethylcyclopropylidene)acetate?
The IUPAC name of methyl 2-chloro-2-(2,2,3,3-tetramethylcyclopropylidene)acetate (CID 12823784) is methyl 2-chloro-2-(2,2,3,3-tetramethylcyclopropylidene)acetate.
What is the SMILES notation for methyl 2-chloro-2-(2,2,3,3-tetramethylcyclopropylidene)acetate?
The canonical SMILES for methyl 2-chloro-2-(2,2,3,3-tetramethylcyclopropylidene)acetate is COC(=O)C(Cl)=C1C(C)(C)C1(C)C.
What is the InChIKey of methyl 2-chloro-2-(2,2,3,3-tetramethylcyclopropylidene)acetate?
The InChIKey is JRCGSFSUFIIBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO2/c1-9(2)7(10(9,3)4)6(11)8(12)13-5/h1-5H3.
What are the key properties of methyl 2-chloro-2-(2,2,3,3-tetramethylcyclopropylidene)acetate?
methyl 2-chloro-2-(2,2,3,3-tetramethylcyclopropylidene)acetate has a molecular weight of 202.68 g/mol, XLogP of 2.72, 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-(2,2,3,3-tetramethylcyclopropylidene)acetate is sourced from PubChem (CID 12823784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).