ethyl (2Z)-2-(2,2,5-trimethylcyclopentylidene)propanoate

C13H22O2 — CID 134872571

IUPACethyl (2Z)-2-(2,2,5-trimethylcyclopentylidene)propanoate
SMILESCCOC(=O)/C(C)=C1/C(C)CCC1(C)C
InChIInChI=1S/C13H22O2/c1-6-15-12(14)10(3)11-9(2)7-8-13(11,4)5/h9H,6-8H2,1-5H3/b11-10-
InChIKeyAWLUYPQKRQHPJV-KHPPLWFESA-N
MW210.32 g/mol
LogP3.32
Rot. Bonds2

About ethyl (2Z)-2-(2,2,5-trimethylcyclopentylidene)propanoate

ethyl (2Z)-2-(2,2,5-trimethylcyclopentylidene)propanoate (PubChem CID 134872571) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is ethyl (2Z)-2-(2,2,5-trimethylcyclopentylidene)propanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-(2,2,5-trimethylcyclopentylidene)propanoate
PubChem CID134872571
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Nameethyl (2Z)-2-(2,2,5-trimethylcyclopentylidene)propanoate
SMILESCCOC(=O)/C(C)=C1/C(C)CCC1(C)C
InChIInChI=1S/C13H22O2/c1-6-15-12(14)10(3)11-9(2)7-8-13(11,4)5/h9H,6-8H2,1-5H3/b11-10-
InChIKeyAWLUYPQKRQHPJV-KHPPLWFESA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.32
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

ethyl (2E)-2-(3-methylcyclopentylidene)acetate
CID 14735761
ethyl (2Z)-2-(3,3-dimethylcyclohexylidene)propanoate
CID 68576019
ethyl (E)-3-cyclopentylbut-2-enoate
CID 89095864
ethyl (E)-3-cyclopentyl-2-methylprop-2-enoate
CID 13928294
ethyl (2E)-2-(3,3-dimethylcyclopentylidene)acetate
CID 69532572
ethyl (2Z)-2-(2,2,6-trimethylcyclohexylidene)propanoate
CID 134872474
Diethyl 2-(2,2,5-trimethylcyclopentylidene)propanedioate
CID 134893590
ethyl (2Z)-2-(2,2,7-trimethylcycloheptylidene)propanoate
CID 134893600
ethyl (2E)-2-fluoro-2-(3-methylcyclopentylidene)acetate
CID 42636645
ethyl (2E)-2-(3-methylcyclohexylidene)propanoate
CID 102005567
Ethyl 2-(4,4-dimethylcyclohexylidene)propanoate
CID 104503489
ethyl 2-[(1Z)-3,3-dimethylcyclopentylidene]acetate
CID 15307455

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(2,2,5-trimethylcyclopentylidene)propanoate?
The IUPAC name of ethyl (2Z)-2-(2,2,5-trimethylcyclopentylidene)propanoate (CID 134872571) is ethyl (2Z)-2-(2,2,5-trimethylcyclopentylidene)propanoate.
What is the SMILES notation for ethyl (2Z)-2-(2,2,5-trimethylcyclopentylidene)propanoate?
The canonical SMILES for ethyl (2Z)-2-(2,2,5-trimethylcyclopentylidene)propanoate is CCOC(=O)/C(C)=C1/C(C)CCC1(C)C.
What is the InChIKey of ethyl (2Z)-2-(2,2,5-trimethylcyclopentylidene)propanoate?
The InChIKey is AWLUYPQKRQHPJV-KHPPLWFESA-N. The full InChI is InChI=1S/C13H22O2/c1-6-15-12(14)10(3)11-9(2)7-8-13(11,4)5/h9H,6-8H2,1-5H3/b11-10-.
What are the key properties of ethyl (2Z)-2-(2,2,5-trimethylcyclopentylidene)propanoate?
ethyl (2Z)-2-(2,2,5-trimethylcyclopentylidene)propanoate has a molecular weight of 210.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(2,2,5-trimethylcyclopentylidene)propanoate is sourced from PubChem (CID 134872571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).