(3-methoxy-3-oxopropyl) 2-formyloxypentanoate

C10H16O6 — CID 54434266

IUPAC(3-methoxy-3-oxopropyl) 2-formyloxypentanoate
SMILESCCCC(OC=O)C(=O)OCCC(=O)OC
InChIInChI=1S/C10H16O6/c1-3-4-8(16-7-11)10(13)15-6-5-9(12)14-2/h7-8H,3-6H2,1-2H3
InChIKeyKUQNWNMLWWUTFC-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.43
Rot. Bonds8

About (3-methoxy-3-oxopropyl) 2-formyloxypentanoate

(3-methoxy-3-oxopropyl) 2-formyloxypentanoate (PubChem CID 54434266) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is (3-methoxy-3-oxopropyl) 2-formyloxypentanoate.

Molecular Properties

Compound Name(3-methoxy-3-oxopropyl) 2-formyloxypentanoate
PubChem CID54434266
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name(3-methoxy-3-oxopropyl) 2-formyloxypentanoate
SMILESCCCC(OC=O)C(=O)OCCC(=O)OC
InChIInChI=1S/C10H16O6/c1-3-4-8(16-7-11)10(13)15-6-5-9(12)14-2/h7-8H,3-6H2,1-2H3
InChIKeyKUQNWNMLWWUTFC-UHFFFAOYSA-N
XLogP0.43
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (3-methoxy-3-oxopropyl) 2-formyloxypentanoate 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

dodecyl 2-formyloxypentanoate
CID 90948969
tert-butyl (2R)-2-formyloxypentanoate
CID 91501739
methyl (2R)-2-methoxypentanoate
CID 30403288
4-formyloxy-5-(5-formyloxypentoxy)-5-oxopentanoic acid
CID 87995383
methyl 3-prop-2-enoyloxypropanoate
CID 14496497
methyl (5R)-5-formyloxyhept-6-enoate
CID 174511231
methyl 4-amino-5-formyloxypentanoate
CID 58299455
1-formyloxyethyl butanoate
CID 54235883
methyl 3-propanoyloxypropanoate;3-oxobutyl propanoate
CID 160585097
methyl (4R)-4-formylhexanoate
CID 12728710
chromium;methyl butanoate
CID 174781983
methyl butanoate;tetrahydrochloride
CID 173289582

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-oxopropyl) 2-formyloxypentanoate?
The IUPAC name of (3-methoxy-3-oxopropyl) 2-formyloxypentanoate (CID 54434266) is (3-methoxy-3-oxopropyl) 2-formyloxypentanoate.
What is the SMILES notation for (3-methoxy-3-oxopropyl) 2-formyloxypentanoate?
The canonical SMILES for (3-methoxy-3-oxopropyl) 2-formyloxypentanoate is CCCC(OC=O)C(=O)OCCC(=O)OC.
What is the InChIKey of (3-methoxy-3-oxopropyl) 2-formyloxypentanoate?
The InChIKey is KUQNWNMLWWUTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-3-4-8(16-7-11)10(13)15-6-5-9(12)14-2/h7-8H,3-6H2,1-2H3.
What are the key properties of (3-methoxy-3-oxopropyl) 2-formyloxypentanoate?
(3-methoxy-3-oxopropyl) 2-formyloxypentanoate has a molecular weight of 232.23 g/mol, XLogP of 0.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-oxopropyl) 2-formyloxypentanoate is sourced from PubChem (CID 54434266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).