methyl 4-methoxy-3-(methoxymethyl)butanoate

C8H16O4 — CID 170299340

IUPACmethyl 4-methoxy-3-(methoxymethyl)butanoate
SMILESCOCC(COC)CC(=O)OC
InChIInChI=1S/C8H16O4/c1-10-5-7(6-11-2)4-8(9)12-3/h7H,4-6H2,1-3H3
InChIKeyPGRXQMOLGPSKFB-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.46
Rot. Bonds6

About methyl 4-methoxy-3-(methoxymethyl)butanoate

methyl 4-methoxy-3-(methoxymethyl)butanoate (PubChem CID 170299340) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is methyl 4-methoxy-3-(methoxymethyl)butanoate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-(methoxymethyl)butanoate
PubChem CID170299340
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Namemethyl 4-methoxy-3-(methoxymethyl)butanoate
SMILESCOCC(COC)CC(=O)OC
InChIInChI=1S/C8H16O4/c1-10-5-7(6-11-2)4-8(9)12-3/h7H,4-6H2,1-3H3
InChIKeyPGRXQMOLGPSKFB-UHFFFAOYSA-N
XLogP0.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 3-(methoxymethyl)pentanedioate
CID 141473714
methyl (3S)-3-amino-4-methoxybutanoate
CID 53259996
dimethyl 3-(ethoxymethyl)pentanedioate
CID 141473703
acetic acid;methyl (3S)-3-amino-4-methoxybutanoate
CID 53259995
methyl 3-(aminomethyl)pentanoate
CID 66099134
2-O,3-O-bis(1-methoxypropan-2-yl) 1-O,4-O-dimethyl butane-1,2,3,4-tetracarboxylate
CID 58177628
methyl 3,3-dichloropropanoate
CID 522760
methyl 3,4-dimethylpentanoate
CID 554058
methyl (3R)-3-(aminomethyl)hexanoate
CID 87371995
methyl (3R)-4-hydroxy-3-(methylamino)butanoate
CID 88981665
methyl 3,3-diaminopropanoate;hydrochloride
CID 140507920
azane;methyl 3-methylbutanoate;hydrochloride
CID 175434492

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-(methoxymethyl)butanoate?
The IUPAC name of methyl 4-methoxy-3-(methoxymethyl)butanoate (CID 170299340) is methyl 4-methoxy-3-(methoxymethyl)butanoate.
What is the SMILES notation for methyl 4-methoxy-3-(methoxymethyl)butanoate?
The canonical SMILES for methyl 4-methoxy-3-(methoxymethyl)butanoate is COCC(COC)CC(=O)OC.
What is the InChIKey of methyl 4-methoxy-3-(methoxymethyl)butanoate?
The InChIKey is PGRXQMOLGPSKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-10-5-7(6-11-2)4-8(9)12-3/h7H,4-6H2,1-3H3.
What are the key properties of methyl 4-methoxy-3-(methoxymethyl)butanoate?
methyl 4-methoxy-3-(methoxymethyl)butanoate has a molecular weight of 176.21 g/mol, XLogP of 0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-(methoxymethyl)butanoate is sourced from PubChem (CID 170299340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).