ethyl 2-(4-tert-butylcyclohexylidene)acetate

C14H24O2 — CID 10857107

IUPACethyl 2-(4-tert-butylcyclohexylidene)acetate
SMILESCCOC(=O)C=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H24O2/c1-5-16-13(15)10-11-6-8-12(9-7-11)14(2,3)4/h10,12H,5-9H2,1-4H3/b11-10-
InChIKeyNXNGYYSCLPLLEC-KHPPLWFESA-N
MW224.34 g/mol
LogP3.71
Rot. Bonds2

About ethyl 2-(4-tert-butylcyclohexylidene)acetate

ethyl 2-(4-tert-butylcyclohexylidene)acetate (PubChem CID 10857107) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethyl 2-(4-tert-butylcyclohexylidene)acetate.

Molecular Properties

Compound Nameethyl 2-(4-tert-butylcyclohexylidene)acetate
PubChem CID10857107
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethyl 2-(4-tert-butylcyclohexylidene)acetate
SMILESCCOC(=O)C=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H24O2/c1-5-16-13(15)10-11-6-8-12(9-7-11)14(2,3)4/h10,12H,5-9H2,1-4H3/b11-10-
InChIKeyNXNGYYSCLPLLEC-KHPPLWFESA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.71
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-tert-butylcyclohexylidene)acetate?
The IUPAC name of ethyl 2-(4-tert-butylcyclohexylidene)acetate (CID 10857107) is ethyl 2-(4-tert-butylcyclohexylidene)acetate.
What is the SMILES notation for ethyl 2-(4-tert-butylcyclohexylidene)acetate?
The canonical SMILES for ethyl 2-(4-tert-butylcyclohexylidene)acetate is CCOC(=O)C=C1CCC(C(C)(C)C)CC1.
What is the InChIKey of ethyl 2-(4-tert-butylcyclohexylidene)acetate?
The InChIKey is NXNGYYSCLPLLEC-KHPPLWFESA-N. The full InChI is InChI=1S/C14H24O2/c1-5-16-13(15)10-11-6-8-12(9-7-11)14(2,3)4/h10,12H,5-9H2,1-4H3/b11-10-.
What are the key properties of ethyl 2-(4-tert-butylcyclohexylidene)acetate?
ethyl 2-(4-tert-butylcyclohexylidene)acetate has a molecular weight of 224.34 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-tert-butylcyclohexylidene)acetate is sourced from PubChem (CID 10857107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).