methyl 5-(4-methoxy-4-oxobutan-2-yl)oxypentanoate

C11H20O5 — CID 575433

IUPACmethyl 5-(4-methoxy-4-oxobutan-2-yl)oxypentanoate
SMILESCOC(=O)CCCCOC(C)CC(=O)OC
InChIInChI=1S/C11H20O5/c1-9(8-11(13)15-3)16-7-5-4-6-10(12)14-2/h9H,4-8H2,1-3H3
InChIKeyHQXRRVDURRHVEE-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.30
Rot. Bonds8

About methyl 5-(4-methoxy-4-oxobutan-2-yl)oxypentanoate

methyl 5-(4-methoxy-4-oxobutan-2-yl)oxypentanoate (PubChem CID 575433) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 5-(4-methoxy-4-oxobutan-2-yl)oxypentanoate.

Molecular Properties

Compound Namemethyl 5-(4-methoxy-4-oxobutan-2-yl)oxypentanoate
PubChem CID575433
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Namemethyl 5-(4-methoxy-4-oxobutan-2-yl)oxypentanoate
SMILESCOC(=O)CCCCOC(C)CC(=O)OC
InChIInChI=1S/C11H20O5/c1-9(8-11(13)15-3)16-7-5-4-6-10(12)14-2/h9H,4-8H2,1-3H3
InChIKeyHQXRRVDURRHVEE-UHFFFAOYSA-N
XLogP1.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 5-(4-methoxy-4-oxobutan-2-yl)oxypentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl glutarate
CID 13163
Methyl 3-acetoxyhexanoate
CID 89463
Ethyl 3-acetoxyhexanoate
CID 89464
Diethyl acetonedicarboxylate
CID 66045
Dibutyl glutarate
CID 81101
Diethyl 3-hydroxyglutarate
CID 96259
Diisopropyl glutarate
CID 96330
Ethyl 5-methoxy-3-oxopentanoate
CID 21765727
Dipropyl glutarate
CID 74407
Dipentyl glutarate
CID 3016634
Methyl 3-acetoxyhexanoate, (R)-
CID 12650803
1,1'-(1,5-Pentanediyl) bis(3-oxobutanoate)
CID 23506140

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methoxy-4-oxobutan-2-yl)oxypentanoate?
The IUPAC name of methyl 5-(4-methoxy-4-oxobutan-2-yl)oxypentanoate (CID 575433) is methyl 5-(4-methoxy-4-oxobutan-2-yl)oxypentanoate.
What is the SMILES notation for methyl 5-(4-methoxy-4-oxobutan-2-yl)oxypentanoate?
The canonical SMILES for methyl 5-(4-methoxy-4-oxobutan-2-yl)oxypentanoate is COC(=O)CCCCOC(C)CC(=O)OC.
What is the InChIKey of methyl 5-(4-methoxy-4-oxobutan-2-yl)oxypentanoate?
The InChIKey is HQXRRVDURRHVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-9(8-11(13)15-3)16-7-5-4-6-10(12)14-2/h9H,4-8H2,1-3H3.
What are the key properties of methyl 5-(4-methoxy-4-oxobutan-2-yl)oxypentanoate?
methyl 5-(4-methoxy-4-oxobutan-2-yl)oxypentanoate has a molecular weight of 232.28 g/mol, XLogP of 1.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methoxy-4-oxobutan-2-yl)oxypentanoate is sourced from PubChem (CID 575433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).