ethyl (2E)-2-(cyclohexylmethylidene)hexanoate

C15H26O2 — CID 10752447

IUPACethyl (2E)-2-(cyclohexylmethylidene)hexanoate
SMILESCCCC/C(=C\C1CCCCC1)C(=O)OCC
InChIInChI=1S/C15H26O2/c1-3-5-11-14(15(16)17-4-2)12-13-9-7-6-8-10-13/h12-13H,3-11H2,1-2H3/b14-12+
InChIKeyGMLTWVJMXQYMMJ-WYMLVPIESA-N
MW238.37 g/mol
LogP4.25
Rot. Bonds6

About ethyl (2E)-2-(cyclohexylmethylidene)hexanoate

ethyl (2E)-2-(cyclohexylmethylidene)hexanoate (PubChem CID 10752447) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is ethyl (2E)-2-(cyclohexylmethylidene)hexanoate.

Molecular Properties

Compound Nameethyl (2E)-2-(cyclohexylmethylidene)hexanoate
PubChem CID10752447
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nameethyl (2E)-2-(cyclohexylmethylidene)hexanoate
SMILESCCCC/C(=C\C1CCCCC1)C(=O)OCC
InChIInChI=1S/C15H26O2/c1-3-5-11-14(15(16)17-4-2)12-13-9-7-6-8-10-13/h12-13H,3-11H2,1-2H3/b14-12+
InChIKeyGMLTWVJMXQYMMJ-WYMLVPIESA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(cyclohexylmethylidene)hexanoate?
The IUPAC name of ethyl (2E)-2-(cyclohexylmethylidene)hexanoate (CID 10752447) is ethyl (2E)-2-(cyclohexylmethylidene)hexanoate.
What is the SMILES notation for ethyl (2E)-2-(cyclohexylmethylidene)hexanoate?
The canonical SMILES for ethyl (2E)-2-(cyclohexylmethylidene)hexanoate is CCCC/C(=C\C1CCCCC1)C(=O)OCC.
What is the InChIKey of ethyl (2E)-2-(cyclohexylmethylidene)hexanoate?
The InChIKey is GMLTWVJMXQYMMJ-WYMLVPIESA-N. The full InChI is InChI=1S/C15H26O2/c1-3-5-11-14(15(16)17-4-2)12-13-9-7-6-8-10-13/h12-13H,3-11H2,1-2H3/b14-12+.
What are the key properties of ethyl (2E)-2-(cyclohexylmethylidene)hexanoate?
ethyl (2E)-2-(cyclohexylmethylidene)hexanoate has a molecular weight of 238.37 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(cyclohexylmethylidene)hexanoate is sourced from PubChem (CID 10752447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).