2-[[(E)-but-2-enoxy]methyl]cyclohex-2-en-1-one

C11H16O2 — CID 20839229

IUPAC2-[[(E)-but-2-enoxy]methyl]cyclohex-2-en-1-one
SMILESC/C=C/COCC1=CCCCC1=O
InChIInChI=1S/C11H16O2/c1-2-3-8-13-9-10-6-4-5-7-11(10)12/h2-3,6H,4-5,7-9H2,1H3/b3-2+
InChIKeySOHVSURYOMAIGZ-NSCUHMNNSA-N
MW180.25 g/mol
LogP2.26
Rot. Bonds4

About 2-[[(E)-but-2-enoxy]methyl]cyclohex-2-en-1-one

2-[[(E)-but-2-enoxy]methyl]cyclohex-2-en-1-one (PubChem CID 20839229) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[[(E)-but-2-enoxy]methyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-[[(E)-but-2-enoxy]methyl]cyclohex-2-en-1-one
PubChem CID20839229
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-[[(E)-but-2-enoxy]methyl]cyclohex-2-en-1-one
SMILESC/C=C/COCC1=CCCCC1=O
InChIInChI=1S/C11H16O2/c1-2-3-8-13-9-10-6-4-5-7-11(10)12/h2-3,6H,4-5,7-9H2,1H3/b3-2+
InChIKeySOHVSURYOMAIGZ-NSCUHMNNSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-2-enoxy]methyl]cyclohex-2-en-1-one?
The IUPAC name of 2-[[(E)-but-2-enoxy]methyl]cyclohex-2-en-1-one (CID 20839229) is 2-[[(E)-but-2-enoxy]methyl]cyclohex-2-en-1-one.
What is the SMILES notation for 2-[[(E)-but-2-enoxy]methyl]cyclohex-2-en-1-one?
The canonical SMILES for 2-[[(E)-but-2-enoxy]methyl]cyclohex-2-en-1-one is C/C=C/COCC1=CCCCC1=O.
What is the InChIKey of 2-[[(E)-but-2-enoxy]methyl]cyclohex-2-en-1-one?
The InChIKey is SOHVSURYOMAIGZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-3-8-13-9-10-6-4-5-7-11(10)12/h2-3,6H,4-5,7-9H2,1H3/b3-2+.
What are the key properties of 2-[[(E)-but-2-enoxy]methyl]cyclohex-2-en-1-one?
2-[[(E)-but-2-enoxy]methyl]cyclohex-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-enoxy]methyl]cyclohex-2-en-1-one is sourced from PubChem (CID 20839229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).