methyl 5-cyclohexyl-2-oxopentanoate

C12H20O3 — CID 18370338

IUPACmethyl 5-cyclohexyl-2-oxopentanoate
SMILESCOC(=O)C(=O)CCCC1CCCCC1
InChIInChI=1S/C12H20O3/c1-15-12(14)11(13)9-5-8-10-6-3-2-4-7-10/h10H,2-9H2,1H3
InChIKeyVPOGJXLSZQHZLO-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.48
Rot. Bonds5

About methyl 5-cyclohexyl-2-oxopentanoate

methyl 5-cyclohexyl-2-oxopentanoate (PubChem CID 18370338) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl 5-cyclohexyl-2-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-cyclohexyl-2-oxopentanoate
PubChem CID18370338
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Namemethyl 5-cyclohexyl-2-oxopentanoate
SMILESCOC(=O)C(=O)CCCC1CCCCC1
InChIInChI=1S/C12H20O3/c1-15-12(14)11(13)9-5-8-10-6-3-2-4-7-10/h10H,2-9H2,1H3
InChIKeyVPOGJXLSZQHZLO-UHFFFAOYSA-N
XLogP2.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclohexyl-2-oxopentanoate?
The IUPAC name of methyl 5-cyclohexyl-2-oxopentanoate (CID 18370338) is methyl 5-cyclohexyl-2-oxopentanoate.
What is the SMILES notation for methyl 5-cyclohexyl-2-oxopentanoate?
The canonical SMILES for methyl 5-cyclohexyl-2-oxopentanoate is COC(=O)C(=O)CCCC1CCCCC1.
What is the InChIKey of methyl 5-cyclohexyl-2-oxopentanoate?
The InChIKey is VPOGJXLSZQHZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-15-12(14)11(13)9-5-8-10-6-3-2-4-7-10/h10H,2-9H2,1H3.
What are the key properties of methyl 5-cyclohexyl-2-oxopentanoate?
methyl 5-cyclohexyl-2-oxopentanoate has a molecular weight of 212.29 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclohexyl-2-oxopentanoate is sourced from PubChem (CID 18370338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).