methyl (2E)-2-chloro-2-(2-ethylcyclopropylidene)acetate

C8H11ClO2 — CID 11206071

IUPACmethyl (2E)-2-chloro-2-(2-ethylcyclopropylidene)acetate
SMILESCCC1C/C1=C(\Cl)C(=O)OC
InChIInChI=1S/C8H11ClO2/c1-3-5-4-6(5)7(9)8(10)11-2/h5H,3-4H2,1-2H3/b7-6+
InChIKeyOIWXEIFGCRISBE-VOTSOKGWSA-N
MW174.63 g/mol
LogP2.08
Rot. Bonds2

About methyl (2E)-2-chloro-2-(2-ethylcyclopropylidene)acetate

methyl (2E)-2-chloro-2-(2-ethylcyclopropylidene)acetate (PubChem CID 11206071) has the molecular formula C8H11ClO2 and a molecular weight of 174.63 g/mol. Its IUPAC name is methyl (2E)-2-chloro-2-(2-ethylcyclopropylidene)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-chloro-2-(2-ethylcyclopropylidene)acetate
PubChem CID11206071
Molecular FormulaC8H11ClO2
Molecular Weight174.63 g/mol
Exact Mass174.04
IUPAC Namemethyl (2E)-2-chloro-2-(2-ethylcyclopropylidene)acetate
SMILESCCC1C/C1=C(\Cl)C(=O)OC
InChIInChI=1S/C8H11ClO2/c1-3-5-4-6(5)7(9)8(10)11-2/h5H,3-4H2,1-2H3/b7-6+
InChIKeyOIWXEIFGCRISBE-VOTSOKGWSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 52.08
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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Related Compounds

Methyl 2-chloro-2-cyclopropylideneacetate
CID 370750
methyl (2Z)-2-chloro-2-spiro[2.2]pentan-2-ylideneacetate
CID 11041189
3-Methyl-2-chlorohept-2-enoic acid, methyl ester
CID 6423319
methyl (2E)-2-chloro-2-spiro[2.2]pentan-2-ylideneacetate
CID 14958496
Methyl 2-chloro-3-ethylpent-2-enoate
CID 19898055
methyl (E)-2-chloro-3-methyloct-2-enoate
CID 23544875
Methyl 2-chloro-3-methyloct-2-enoate
CID 74061511
Methyl 2-chloro-3-(2,2-dimethylcyclopropyl)prop-2-enoate
CID 88446122
methyl (E)-3-chloro-3-cyclopropyl-2-methylprop-2-enoate
CID 89292655
Methyl 3-cyclopropyl-2-methylbut-2-enoate
CID 123353538
methyl (Z)-2-chloro-3-(2,2-dimethylcyclopropyl)prop-2-enoate
CID 153734377
Ethyl 2-chloro-2-cyclopropylideneacetate
CID 11593478

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-chloro-2-(2-ethylcyclopropylidene)acetate?
The IUPAC name of methyl (2E)-2-chloro-2-(2-ethylcyclopropylidene)acetate (CID 11206071) is methyl (2E)-2-chloro-2-(2-ethylcyclopropylidene)acetate.
What is the SMILES notation for methyl (2E)-2-chloro-2-(2-ethylcyclopropylidene)acetate?
The canonical SMILES for methyl (2E)-2-chloro-2-(2-ethylcyclopropylidene)acetate is CCC1C/C1=C(\Cl)C(=O)OC.
What is the InChIKey of methyl (2E)-2-chloro-2-(2-ethylcyclopropylidene)acetate?
The InChIKey is OIWXEIFGCRISBE-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H11ClO2/c1-3-5-4-6(5)7(9)8(10)11-2/h5H,3-4H2,1-2H3/b7-6+.
What are the key properties of methyl (2E)-2-chloro-2-(2-ethylcyclopropylidene)acetate?
methyl (2E)-2-chloro-2-(2-ethylcyclopropylidene)acetate has a molecular weight of 174.63 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-chloro-2-(2-ethylcyclopropylidene)acetate is sourced from PubChem (CID 11206071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).