methyl 4-formyloxybutanoate

C6H10O4 — CID 88643911

IUPACmethyl 4-formyloxybutanoate
SMILESCOC(=O)CCCOC=O
InChIInChI=1S/C6H10O4/c1-9-6(8)3-2-4-10-5-7/h5H,2-4H2,1H3
InChIKeyDJACBEBASIRRAD-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.11
Rot. Bonds5

About methyl 4-formyloxybutanoate

methyl 4-formyloxybutanoate (PubChem CID 88643911) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is methyl 4-formyloxybutanoate.

Molecular Properties

Compound Namemethyl 4-formyloxybutanoate
PubChem CID88643911
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Namemethyl 4-formyloxybutanoate
SMILESCOC(=O)CCCOC=O
InChIInChI=1S/C6H10O4/c1-9-6(8)3-2-4-10-5-7/h5H,2-4H2,1H3
InChIKeyDJACBEBASIRRAD-UHFFFAOYSA-N
XLogP0.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-formyloxybutanoate 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

dimethyl hexanedioate;stannane
CID 173290076
methyl 4-methoxybutanoate
CID 542317
(4-amino-4-oxobutyl) formate
CID 22928633
[5-[2-(4-formyloxybutanoyl)hydrazinyl]-5-oxopentyl] formate
CID 87995385
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
methyl 4-aminooxybutanoate
CID 54367972
3-O-(3-formyloxypropanoyloxymethyl) 1-O-methyl propanedioate;methane
CID 161313715
dimethyl hexanedioate;molecular hydrogen
CID 173272620

Frequently Asked Questions

What is the IUPAC name of methyl 4-formyloxybutanoate?
The IUPAC name of methyl 4-formyloxybutanoate (CID 88643911) is methyl 4-formyloxybutanoate.
What is the SMILES notation for methyl 4-formyloxybutanoate?
The canonical SMILES for methyl 4-formyloxybutanoate is COC(=O)CCCOC=O.
What is the InChIKey of methyl 4-formyloxybutanoate?
The InChIKey is DJACBEBASIRRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-9-6(8)3-2-4-10-5-7/h5H,2-4H2,1H3.
What are the key properties of methyl 4-formyloxybutanoate?
methyl 4-formyloxybutanoate has a molecular weight of 146.14 g/mol, XLogP of 0.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-formyloxybutanoate is sourced from PubChem (CID 88643911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).