2-but-3-enoxy-1-cyclohexylethanone

C12H20O2 — CID 104751967

IUPAC2-but-3-enoxy-1-cyclohexylethanone
SMILESC=CCCOCC(=O)C1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-3-9-14-10-12(13)11-7-5-4-6-8-11/h2,11H,1,3-10H2
InChIKeySDFFMJSNXSFGSJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.73
Rot. Bonds6

About 2-but-3-enoxy-1-cyclohexylethanone

2-but-3-enoxy-1-cyclohexylethanone (PubChem CID 104751967) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-but-3-enoxy-1-cyclohexylethanone.

Molecular Properties

Compound Name2-but-3-enoxy-1-cyclohexylethanone
PubChem CID104751967
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-but-3-enoxy-1-cyclohexylethanone
SMILESC=CCCOCC(=O)C1CCCCC1
InChIInChI=1S/C12H20O2/c1-2-3-9-14-10-12(13)11-7-5-4-6-8-11/h2,11H,1,3-10H2
InChIKeySDFFMJSNXSFGSJ-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.73
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-but-3-enoxy-1-cyclohexylethanone?
The IUPAC name of 2-but-3-enoxy-1-cyclohexylethanone (CID 104751967) is 2-but-3-enoxy-1-cyclohexylethanone.
What is the SMILES notation for 2-but-3-enoxy-1-cyclohexylethanone?
The canonical SMILES for 2-but-3-enoxy-1-cyclohexylethanone is C=CCCOCC(=O)C1CCCCC1.
What is the InChIKey of 2-but-3-enoxy-1-cyclohexylethanone?
The InChIKey is SDFFMJSNXSFGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-9-14-10-12(13)11-7-5-4-6-8-11/h2,11H,1,3-10H2.
What are the key properties of 2-but-3-enoxy-1-cyclohexylethanone?
2-but-3-enoxy-1-cyclohexylethanone has a molecular weight of 196.29 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-1-cyclohexylethanone is sourced from PubChem (CID 104751967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).