ethyl 2-[(1E)-cyclodecen-1-yl]propanoate

C15H26O2 — CID 15353405

IUPACethyl 2-[(1E)-cyclodecen-1-yl]propanoate
SMILESCCOC(=O)C(C)/C1=C/CCCCCCCC1
InChIInChI=1S/C15H26O2/c1-3-17-15(16)13(2)14-11-9-7-5-4-6-8-10-12-14/h11,13H,3-10,12H2,1-2H3/b14-11+
InChIKeyLZOZLBVPZZCQEQ-SDNWHVSQSA-N
MW238.37 g/mol
LogP4.25
Rot. Bonds3

About ethyl 2-[(1E)-cyclodecen-1-yl]propanoate

ethyl 2-[(1E)-cyclodecen-1-yl]propanoate (PubChem CID 15353405) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is ethyl 2-[(1E)-cyclodecen-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[(1E)-cyclodecen-1-yl]propanoate
PubChem CID15353405
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nameethyl 2-[(1E)-cyclodecen-1-yl]propanoate
SMILESCCOC(=O)C(C)/C1=C/CCCCCCCC1
InChIInChI=1S/C15H26O2/c1-3-17-15(16)13(2)14-11-9-7-5-4-6-8-10-12-14/h11,13H,3-10,12H2,1-2H3/b14-11+
InChIKeyLZOZLBVPZZCQEQ-SDNWHVSQSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 2-[(1E)-cyclodecen-1-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(cyclohepten-1-yl)propanoate
CID 15353402
ethyl 2-(cyclododecen-1-yl)propanoate
CID 57035955
ethyl 2-[(1E)-cyclododecen-1-yl]-2-hydroxyacetate
CID 165457413
diethyl 2-[(1R)-1-(cyclohexen-1-yl)ethyl]propanedioate
CID 11129313
ethyl (2R)-3-(cyclohexen-1-yl)-2-hydroxybutanoate
CID 101090880
ethyl cycloundecene-1-carboxylate
CID 154164177
ethyl 2-(cyclopenten-1-yl)-2-methylsulfonyloxyacetate
CID 15070290
3-(cycloocten-1-yl)butanoic acid
CID 154246117
ethyl 2-(cyclohepten-1-yl)-2-oxoacetate
CID 14387210
ethyl 2-(cycloocten-1-yl)acetate
CID 67663931
1-(cyclohepten-1-yl)-2,2-diethoxyethanamine
CID 106653819
3-(cyclododecen-1-yl)-4-oxo-4-propan-2-yloxybutanoic acid
CID 154411669

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1E)-cyclodecen-1-yl]propanoate?
The IUPAC name of ethyl 2-[(1E)-cyclodecen-1-yl]propanoate (CID 15353405) is ethyl 2-[(1E)-cyclodecen-1-yl]propanoate.
What is the SMILES notation for ethyl 2-[(1E)-cyclodecen-1-yl]propanoate?
The canonical SMILES for ethyl 2-[(1E)-cyclodecen-1-yl]propanoate is CCOC(=O)C(C)/C1=C/CCCCCCCC1.
What is the InChIKey of ethyl 2-[(1E)-cyclodecen-1-yl]propanoate?
The InChIKey is LZOZLBVPZZCQEQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-17-15(16)13(2)14-11-9-7-5-4-6-8-10-12-14/h11,13H,3-10,12H2,1-2H3/b14-11+.
What are the key properties of ethyl 2-[(1E)-cyclodecen-1-yl]propanoate?
ethyl 2-[(1E)-cyclodecen-1-yl]propanoate has a molecular weight of 238.37 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1E)-cyclodecen-1-yl]propanoate is sourced from PubChem (CID 15353405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).