ethyl (2Z)-2-(2-tert-butylcyclopentylidene)acetate

C13H22O2 — CID 165488646

IUPACethyl (2Z)-2-(2-tert-butylcyclopentylidene)acetate
SMILESCCOC(=O)/C=C1/CCCC1C(C)(C)C
InChIInChI=1S/C13H22O2/c1-5-15-12(14)9-10-7-6-8-11(10)13(2,3)4/h9,11H,5-8H2,1-4H3/b10-9-
InChIKeyYYUOZGBOHKNLBG-KTKRTIGZSA-N
MW210.32 g/mol
LogP3.32
Rot. Bonds2

About ethyl (2Z)-2-(2-tert-butylcyclopentylidene)acetate

ethyl (2Z)-2-(2-tert-butylcyclopentylidene)acetate (PubChem CID 165488646) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is ethyl (2Z)-2-(2-tert-butylcyclopentylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(2-tert-butylcyclopentylidene)acetate
PubChem CID165488646
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Nameethyl (2Z)-2-(2-tert-butylcyclopentylidene)acetate
SMILESCCOC(=O)/C=C1/CCCC1C(C)(C)C
InChIInChI=1S/C13H22O2/c1-5-15-12(14)9-10-7-6-8-11(10)13(2,3)4/h9,11H,5-8H2,1-4H3/b10-9-
InChIKeyYYUOZGBOHKNLBG-KTKRTIGZSA-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'}

Analyze ethyl (2Z)-2-(2-tert-butylcyclopentylidene)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 ethyl (2Z)-2-(2-tert-butylcyclopentylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(2-tert-butylcyclopentylidene)acetate (CID 165488646) is ethyl (2Z)-2-(2-tert-butylcyclopentylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(2-tert-butylcyclopentylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(2-tert-butylcyclopentylidene)acetate is CCOC(=O)/C=C1/CCCC1C(C)(C)C.
What is the InChIKey of ethyl (2Z)-2-(2-tert-butylcyclopentylidene)acetate?
The InChIKey is YYUOZGBOHKNLBG-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H22O2/c1-5-15-12(14)9-10-7-6-8-11(10)13(2,3)4/h9,11H,5-8H2,1-4H3/b10-9-.
What are the key properties of ethyl (2Z)-2-(2-tert-butylcyclopentylidene)acetate?
ethyl (2Z)-2-(2-tert-butylcyclopentylidene)acetate 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-tert-butylcyclopentylidene)acetate is sourced from PubChem (CID 165488646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).