3-(5-ethoxyheptyl)cyclohex-2-en-1-one

C15H26O2 — CID 23505225

IUPAC3-(5-ethoxyheptyl)cyclohex-2-en-1-one
SMILESCCOC(CC)CCCCC1=CC(=O)CCC1
InChIInChI=1S/C15H26O2/c1-3-15(17-4-2)11-6-5-8-13-9-7-10-14(16)12-13/h12,15H,3-11H2,1-2H3
InChIKeyZFSPBKCXYUOIBG-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.04
Rot. Bonds8

About 3-(5-ethoxyheptyl)cyclohex-2-en-1-one

3-(5-ethoxyheptyl)cyclohex-2-en-1-one (PubChem CID 23505225) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-(5-ethoxyheptyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(5-ethoxyheptyl)cyclohex-2-en-1-one
PubChem CID23505225
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name3-(5-ethoxyheptyl)cyclohex-2-en-1-one
SMILESCCOC(CC)CCCCC1=CC(=O)CCC1
InChIInChI=1S/C15H26O2/c1-3-15(17-4-2)11-6-5-8-13-9-7-10-14(16)12-13/h12,15H,3-11H2,1-2H3
InChIKeyZFSPBKCXYUOIBG-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxyheptyl)cyclohex-2-en-1-one?
The IUPAC name of 3-(5-ethoxyheptyl)cyclohex-2-en-1-one (CID 23505225) is 3-(5-ethoxyheptyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(5-ethoxyheptyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(5-ethoxyheptyl)cyclohex-2-en-1-one is CCOC(CC)CCCCC1=CC(=O)CCC1.
What is the InChIKey of 3-(5-ethoxyheptyl)cyclohex-2-en-1-one?
The InChIKey is ZFSPBKCXYUOIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-15(17-4-2)11-6-5-8-13-9-7-10-14(16)12-13/h12,15H,3-11H2,1-2H3.
What are the key properties of 3-(5-ethoxyheptyl)cyclohex-2-en-1-one?
3-(5-ethoxyheptyl)cyclohex-2-en-1-one has a molecular weight of 238.37 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxyheptyl)cyclohex-2-en-1-one is sourced from PubChem (CID 23505225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).