dimethyl 3-(ethoxymethyl)pentanedioate

C10H18O5 — CID 141473703

IUPACdimethyl 3-(ethoxymethyl)pentanedioate
SMILESCCOCC(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C10H18O5/c1-4-15-7-8(5-9(11)13-2)6-10(12)14-3/h8H,4-7H2,1-3H3
InChIKeyIBDWOEYRUVEGOU-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.77
Rot. Bonds7

About dimethyl 3-(ethoxymethyl)pentanedioate

dimethyl 3-(ethoxymethyl)pentanedioate (PubChem CID 141473703) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is dimethyl 3-(ethoxymethyl)pentanedioate.

Molecular Properties

Compound Namedimethyl 3-(ethoxymethyl)pentanedioate
PubChem CID141473703
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Namedimethyl 3-(ethoxymethyl)pentanedioate
SMILESCCOCC(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C10H18O5/c1-4-15-7-8(5-9(11)13-2)6-10(12)14-3/h8H,4-7H2,1-3H3
InChIKeyIBDWOEYRUVEGOU-UHFFFAOYSA-N
XLogP0.77
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 3-(methoxymethyl)pentanedioate
CID 141473714
methyl 3-amino-4-ethoxybutanoate
CID 116821263
methyl 4-methoxy-3-(methoxymethyl)butanoate
CID 170299340
methyl 3-(aminomethyl)pentanoate
CID 66099134
methyl 3-(2-ethoxyethylamino)butanoate
CID 43590969
1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate
CID 87696230
methyl (3R)-3-(aminomethyl)hexanoate
CID 87371995
methyl 3-ethoxy-2-methoxypropanoate
CID 141379687
methyl 3-ethyldecanoate
CID 154021576
methyl 3,3-dichloropropanoate
CID 522760
methyl 3,4-dimethylpentanoate
CID 554058
methyl 4-oxo-3-propanoylhexanoate
CID 50987809

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(ethoxymethyl)pentanedioate?
The IUPAC name of dimethyl 3-(ethoxymethyl)pentanedioate (CID 141473703) is dimethyl 3-(ethoxymethyl)pentanedioate.
What is the SMILES notation for dimethyl 3-(ethoxymethyl)pentanedioate?
The canonical SMILES for dimethyl 3-(ethoxymethyl)pentanedioate is CCOCC(CC(=O)OC)CC(=O)OC.
What is the InChIKey of dimethyl 3-(ethoxymethyl)pentanedioate?
The InChIKey is IBDWOEYRUVEGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-4-15-7-8(5-9(11)13-2)6-10(12)14-3/h8H,4-7H2,1-3H3.
What are the key properties of dimethyl 3-(ethoxymethyl)pentanedioate?
dimethyl 3-(ethoxymethyl)pentanedioate has a molecular weight of 218.25 g/mol, XLogP of 0.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(ethoxymethyl)pentanedioate is sourced from PubChem (CID 141473703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).