ethyl 2-(4-methylcyclohexylidene)acetate

C11H18O2 — CID 11116686

IUPACethyl 2-(4-methylcyclohexylidene)acetate
SMILESCCOC(=O)C=C1CCC(C)CC1
InChIInChI=1S/C11H18O2/c1-3-13-11(12)8-10-6-4-9(2)5-7-10/h8-9H,3-7H2,1-2H3/b10-8-
InChIKeyURCULVSYHQBTAV-NTMALXAHSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds2

About ethyl 2-(4-methylcyclohexylidene)acetate

ethyl 2-(4-methylcyclohexylidene)acetate (PubChem CID 11116686) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethyl 2-(4-methylcyclohexylidene)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methylcyclohexylidene)acetate
PubChem CID11116686
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethyl 2-(4-methylcyclohexylidene)acetate
SMILESCCOC(=O)C=C1CCC(C)CC1
InChIInChI=1S/C11H18O2/c1-3-13-11(12)8-10-6-4-9(2)5-7-10/h8-9H,3-7H2,1-2H3/b10-8-
InChIKeyURCULVSYHQBTAV-NTMALXAHSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.69
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 ethyl 2-(4-methylcyclohexylidene)acetate?
The IUPAC name of ethyl 2-(4-methylcyclohexylidene)acetate (CID 11116686) is ethyl 2-(4-methylcyclohexylidene)acetate.
What is the SMILES notation for ethyl 2-(4-methylcyclohexylidene)acetate?
The canonical SMILES for ethyl 2-(4-methylcyclohexylidene)acetate is CCOC(=O)C=C1CCC(C)CC1.
What is the InChIKey of ethyl 2-(4-methylcyclohexylidene)acetate?
The InChIKey is URCULVSYHQBTAV-NTMALXAHSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-13-11(12)8-10-6-4-9(2)5-7-10/h8-9H,3-7H2,1-2H3/b10-8-.
What are the key properties of ethyl 2-(4-methylcyclohexylidene)acetate?
ethyl 2-(4-methylcyclohexylidene)acetate has a molecular weight of 182.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylcyclohexylidene)acetate is sourced from PubChem (CID 11116686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).