ethyl (E)-6-cyclohexylhex-2-enoate

C14H24O2 — CID 5385372

IUPACethyl (E)-6-cyclohexylhex-2-enoate
SMILESCCOC(=O)/C=C/CCCC1CCCCC1
InChIInChI=1S/C14H24O2/c1-2-16-14(15)12-8-4-7-11-13-9-5-3-6-10-13/h8,12-13H,2-7,9-11H2,1H3/b12-8+
InChIKeyDIIROVHDTQSVDN-XYOKQWHBSA-N
MW224.34 g/mol
LogP3.86
Rot. Bonds6

About ethyl (E)-6-cyclohexylhex-2-enoate

ethyl (E)-6-cyclohexylhex-2-enoate (PubChem CID 5385372) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethyl (E)-6-cyclohexylhex-2-enoate.

Molecular Properties

Compound Nameethyl (E)-6-cyclohexylhex-2-enoate
PubChem CID5385372
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethyl (E)-6-cyclohexylhex-2-enoate
SMILESCCOC(=O)/C=C/CCCC1CCCCC1
InChIInChI=1S/C14H24O2/c1-2-16-14(15)12-8-4-7-11-13-9-5-3-6-10-13/h8,12-13H,2-7,9-11H2,1H3/b12-8+
InChIKeyDIIROVHDTQSVDN-XYOKQWHBSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-6-cyclohexylhex-2-enoate?
The IUPAC name of ethyl (E)-6-cyclohexylhex-2-enoate (CID 5385372) is ethyl (E)-6-cyclohexylhex-2-enoate.
What is the SMILES notation for ethyl (E)-6-cyclohexylhex-2-enoate?
The canonical SMILES for ethyl (E)-6-cyclohexylhex-2-enoate is CCOC(=O)/C=C/CCCC1CCCCC1.
What is the InChIKey of ethyl (E)-6-cyclohexylhex-2-enoate?
The InChIKey is DIIROVHDTQSVDN-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-16-14(15)12-8-4-7-11-13-9-5-3-6-10-13/h8,12-13H,2-7,9-11H2,1H3/b12-8+.
What are the key properties of ethyl (E)-6-cyclohexylhex-2-enoate?
ethyl (E)-6-cyclohexylhex-2-enoate has a molecular weight of 224.34 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-6-cyclohexylhex-2-enoate is sourced from PubChem (CID 5385372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).