methyl 2-(cyclopentanecarbonyl)-5-cyclopropyl-4-oxopentanoate

C15H22O4 — CID 165483333

IUPACmethyl 2-(cyclopentanecarbonyl)-5-cyclopropyl-4-oxopentanoate
SMILESCOC(=O)C(CC(=O)CC1CC1)C(=O)C1CCCC1
InChIInChI=1S/C15H22O4/c1-19-15(18)13(9-12(16)8-10-6-7-10)14(17)11-4-2-3-5-11/h10-11,13H,2-9H2,1H3
InChIKeyVLKAUGIQVUJTBH-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.29
Rot. Bonds7

About methyl 2-(cyclopentanecarbonyl)-5-cyclopropyl-4-oxopentanoate

methyl 2-(cyclopentanecarbonyl)-5-cyclopropyl-4-oxopentanoate (PubChem CID 165483333) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 2-(cyclopentanecarbonyl)-5-cyclopropyl-4-oxopentanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopentanecarbonyl)-5-cyclopropyl-4-oxopentanoate
PubChem CID165483333
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namemethyl 2-(cyclopentanecarbonyl)-5-cyclopropyl-4-oxopentanoate
SMILESCOC(=O)C(CC(=O)CC1CC1)C(=O)C1CCCC1
InChIInChI=1S/C15H22O4/c1-19-15(18)13(9-12(16)8-10-6-7-10)14(17)11-4-2-3-5-11/h10-11,13H,2-9H2,1H3
InChIKeyVLKAUGIQVUJTBH-UHFFFAOYSA-N
XLogP2.29
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(cyclopentanecarbonyl)-4-oxopentanoate
CID 165483331
methyl 5-cyclopropyl-4-oxo-2-propanoylpentanoate
CID 165483542
methyl 2-(cyclobutanecarbonyl)-5,5,5-trifluoro-4-oxopentanoate
CID 165483335
methyl 3-cyclopentyl-2-fluoro-3-oxopropanoate
CID 105443001
4-amino-1-cyclohexyl-5-methylhexan-2-one
CID 116606337
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
methyl 2-acetyl-4-cyclobutyl-4-oxobutanoate
CID 165483450
2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid
CID 11672870
4-methyl-1-[4-[(propan-2-ylamino)methyl]cyclohexyl]pentan-2-one
CID 176823924
methyl 4-(2-cyclopentyl-2-oxoethyl)cyclohexane-1-carboxylate
CID 130283512
methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate
CID 129354214
4-O-(5-cyclohexyl-4-oxopentyl) 1-O-methyl 2-methylbutanedioate
CID 123785670

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentanecarbonyl)-5-cyclopropyl-4-oxopentanoate?
The IUPAC name of methyl 2-(cyclopentanecarbonyl)-5-cyclopropyl-4-oxopentanoate (CID 165483333) is methyl 2-(cyclopentanecarbonyl)-5-cyclopropyl-4-oxopentanoate.
What is the SMILES notation for methyl 2-(cyclopentanecarbonyl)-5-cyclopropyl-4-oxopentanoate?
The canonical SMILES for methyl 2-(cyclopentanecarbonyl)-5-cyclopropyl-4-oxopentanoate is COC(=O)C(CC(=O)CC1CC1)C(=O)C1CCCC1.
What is the InChIKey of methyl 2-(cyclopentanecarbonyl)-5-cyclopropyl-4-oxopentanoate?
The InChIKey is VLKAUGIQVUJTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-19-15(18)13(9-12(16)8-10-6-7-10)14(17)11-4-2-3-5-11/h10-11,13H,2-9H2,1H3.
What are the key properties of methyl 2-(cyclopentanecarbonyl)-5-cyclopropyl-4-oxopentanoate?
methyl 2-(cyclopentanecarbonyl)-5-cyclopropyl-4-oxopentanoate has a molecular weight of 266.34 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentanecarbonyl)-5-cyclopropyl-4-oxopentanoate is sourced from PubChem (CID 165483333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).