methyl 4,4-dimethyl-3-oxo-2-[2-oxo-2-(oxolan-3-yl)ethyl]pentanoate

C14H22O5 — CID 165483528

IUPACmethyl 4,4-dimethyl-3-oxo-2-[2-oxo-2-(oxolan-3-yl)ethyl]pentanoate
SMILESCOC(=O)C(CC(=O)C1CCOC1)C(=O)C(C)(C)C
InChIInChI=1S/C14H22O5/c1-14(2,3)12(16)10(13(17)18-4)7-11(15)9-5-6-19-8-9/h9-10H,5-8H2,1-4H3
InChIKeyOZDDOIKRFONUHU-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.39
Rot. Bonds5

About methyl 4,4-dimethyl-3-oxo-2-[2-oxo-2-(oxolan-3-yl)ethyl]pentanoate

methyl 4,4-dimethyl-3-oxo-2-[2-oxo-2-(oxolan-3-yl)ethyl]pentanoate (PubChem CID 165483528) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is methyl 4,4-dimethyl-3-oxo-2-[2-oxo-2-(oxolan-3-yl)ethyl]pentanoate.

Molecular Properties

Compound Namemethyl 4,4-dimethyl-3-oxo-2-[2-oxo-2-(oxolan-3-yl)ethyl]pentanoate
PubChem CID165483528
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Namemethyl 4,4-dimethyl-3-oxo-2-[2-oxo-2-(oxolan-3-yl)ethyl]pentanoate
SMILESCOC(=O)C(CC(=O)C1CCOC1)C(=O)C(C)(C)C
InChIInChI=1S/C14H22O5/c1-14(2,3)12(16)10(13(17)18-4)7-11(15)9-5-6-19-8-9/h9-10H,5-8H2,1-4H3
InChIKeyOZDDOIKRFONUHU-UHFFFAOYSA-N
XLogP1.39
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4,4-dimethyl-3-oxo-2-[2-oxo-2-(oxolan-3-yl)ethyl]pentanoate with MolForge

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Related Compounds

methyl 2-amino-4-(oxan-3-yl)-4-oxobutanoate
CID 105468455
2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone
CID 104751821
3-methyl-1-(oxolan-3-yl)pentan-1-one
CID 65330399
3-methyl-1-(oxan-4-yl)butan-1-one
CID 63935044
4,4-dimethyl-1-(oxolan-3-yl)pentan-1-one
CID 65330284
methyl 2-acetyl-4-cyclobutyl-4-oxobutanoate
CID 165483450
3-(aminomethyl)-5-methyl-1-(oxolan-3-yl)hexan-1-one
CID 116576825
methyl 2-ethyl-3-oxo-4-(oxolan-3-yl)butanoate
CID 103987726
4-methyl-1-(oxolan-3-yl)pentan-1-one
CID 63563225
4-methoxy-3-methyl-1-(oxan-3-yl)butan-1-one
CID 107138525
3-ethyl-1-(oxan-4-yl)pentan-1-one
CID 82919619
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188

Frequently Asked Questions

What is the IUPAC name of methyl 4,4-dimethyl-3-oxo-2-[2-oxo-2-(oxolan-3-yl)ethyl]pentanoate?
The IUPAC name of methyl 4,4-dimethyl-3-oxo-2-[2-oxo-2-(oxolan-3-yl)ethyl]pentanoate (CID 165483528) is methyl 4,4-dimethyl-3-oxo-2-[2-oxo-2-(oxolan-3-yl)ethyl]pentanoate.
What is the SMILES notation for methyl 4,4-dimethyl-3-oxo-2-[2-oxo-2-(oxolan-3-yl)ethyl]pentanoate?
The canonical SMILES for methyl 4,4-dimethyl-3-oxo-2-[2-oxo-2-(oxolan-3-yl)ethyl]pentanoate is COC(=O)C(CC(=O)C1CCOC1)C(=O)C(C)(C)C.
What is the InChIKey of methyl 4,4-dimethyl-3-oxo-2-[2-oxo-2-(oxolan-3-yl)ethyl]pentanoate?
The InChIKey is OZDDOIKRFONUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-14(2,3)12(16)10(13(17)18-4)7-11(15)9-5-6-19-8-9/h9-10H,5-8H2,1-4H3.
What are the key properties of methyl 4,4-dimethyl-3-oxo-2-[2-oxo-2-(oxolan-3-yl)ethyl]pentanoate?
methyl 4,4-dimethyl-3-oxo-2-[2-oxo-2-(oxolan-3-yl)ethyl]pentanoate has a molecular weight of 270.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,4-dimethyl-3-oxo-2-[2-oxo-2-(oxolan-3-yl)ethyl]pentanoate is sourced from PubChem (CID 165483528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).