ethyl 2-(2,2-dicyclopropylacetyl)pentanoate

C15H24O3 — CID 112743767

IUPACethyl 2-(2,2-dicyclopropylacetyl)pentanoate
SMILESCCCC(C(=O)OCC)C(=O)C(C1CC1)C1CC1
InChIInChI=1S/C15H24O3/c1-3-5-12(15(17)18-4-2)14(16)13(10-6-7-10)11-8-9-11/h10-13H,3-9H2,1-2H3
InChIKeyLKPJEKYKMYHBON-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.97
Rot. Bonds8

About ethyl 2-(2,2-dicyclopropylacetyl)pentanoate

ethyl 2-(2,2-dicyclopropylacetyl)pentanoate (PubChem CID 112743767) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is ethyl 2-(2,2-dicyclopropylacetyl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(2,2-dicyclopropylacetyl)pentanoate
PubChem CID112743767
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Nameethyl 2-(2,2-dicyclopropylacetyl)pentanoate
SMILESCCCC(C(=O)OCC)C(=O)C(C1CC1)C1CC1
InChIInChI=1S/C15H24O3/c1-3-5-12(15(17)18-4-2)14(16)13(10-6-7-10)11-8-9-11/h10-13H,3-9H2,1-2H3
InChIKeyLKPJEKYKMYHBON-UHFFFAOYSA-N
XLogP2.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-cyclohexyl-2-ethoxyacetyl)pentanoate
CID 116775042
ethyl 2-(cyclopropanecarbonyl)pentanoate
CID 83049474
ethyl 2-(4-methylcyclohexanecarbonyl)pentanoate
CID 83049892
ethyl 2-(cyclooctanecarbonyl)pentanoate
CID 83043739
1-O-ethyl 3-O-propyl 2-propylpropanedioate
CID 175366314
ethyl 2-cyclopropyl-3-sulfanylpropanoate
CID 19767893
ethyl 2-(4-ethylcyclohexanecarbonyl)pentanoate
CID 83049003
ethyl 2-(oxane-4-carbonyl)pentanoate
CID 83048896
ethyl 2-cyclopropyl-2-fluoroacetate
CID 171409758
ethyl 2-ethylperoxycarbonylpentanoate
CID 174863667
ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate
CID 166888475
4-cyclopropyl-2-ethoxycarbonylbutanoic acid
CID 103973612

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-dicyclopropylacetyl)pentanoate?
The IUPAC name of ethyl 2-(2,2-dicyclopropylacetyl)pentanoate (CID 112743767) is ethyl 2-(2,2-dicyclopropylacetyl)pentanoate.
What is the SMILES notation for ethyl 2-(2,2-dicyclopropylacetyl)pentanoate?
The canonical SMILES for ethyl 2-(2,2-dicyclopropylacetyl)pentanoate is CCCC(C(=O)OCC)C(=O)C(C1CC1)C1CC1.
What is the InChIKey of ethyl 2-(2,2-dicyclopropylacetyl)pentanoate?
The InChIKey is LKPJEKYKMYHBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-3-5-12(15(17)18-4-2)14(16)13(10-6-7-10)11-8-9-11/h10-13H,3-9H2,1-2H3.
What are the key properties of ethyl 2-(2,2-dicyclopropylacetyl)pentanoate?
ethyl 2-(2,2-dicyclopropylacetyl)pentanoate has a molecular weight of 252.35 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-dicyclopropylacetyl)pentanoate is sourced from PubChem (CID 112743767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).