5-(cyclohexen-1-yl)-1-methoxypentan-2-one

C12H20O2 — CID 5314617

IUPAC5-(cyclohexen-1-yl)-1-methoxypentan-2-one
SMILESCOCC(=O)CCCC1=CCCCC1
InChIInChI=1S/C12H20O2/c1-14-10-12(13)9-5-8-11-6-3-2-4-7-11/h6H,2-5,7-10H2,1H3
InChIKeyXROYDJSAUCPAPB-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.87
Rot. Bonds6

About 5-(cyclohexen-1-yl)-1-methoxypentan-2-one

5-(cyclohexen-1-yl)-1-methoxypentan-2-one (PubChem CID 5314617) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-1-methoxypentan-2-one.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)-1-methoxypentan-2-one
PubChem CID5314617
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name5-(cyclohexen-1-yl)-1-methoxypentan-2-one
SMILESCOCC(=O)CCCC1=CCCCC1
InChIInChI=1S/C12H20O2/c1-14-10-12(13)9-5-8-11-6-3-2-4-7-11/h6H,2-5,7-10H2,1H3
InChIKeyXROYDJSAUCPAPB-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)-1-methoxypentan-2-one?
The IUPAC name of 5-(cyclohexen-1-yl)-1-methoxypentan-2-one (CID 5314617) is 5-(cyclohexen-1-yl)-1-methoxypentan-2-one.
What is the SMILES notation for 5-(cyclohexen-1-yl)-1-methoxypentan-2-one?
The canonical SMILES for 5-(cyclohexen-1-yl)-1-methoxypentan-2-one is COCC(=O)CCCC1=CCCCC1.
What is the InChIKey of 5-(cyclohexen-1-yl)-1-methoxypentan-2-one?
The InChIKey is XROYDJSAUCPAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-14-10-12(13)9-5-8-11-6-3-2-4-7-11/h6H,2-5,7-10H2,1H3.
What are the key properties of 5-(cyclohexen-1-yl)-1-methoxypentan-2-one?
5-(cyclohexen-1-yl)-1-methoxypentan-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)-1-methoxypentan-2-one is sourced from PubChem (CID 5314617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).