2-ethyl-3-(1-methoxypropyl)butanedioate

C10H16O5-2 — CID 23377164

IUPAC2-ethyl-3-(1-methoxypropyl)butanedioate
SMILESCCC(OC)C(C(=O)[O-])C(CC)C(=O)[O-]
InChIInChI=1S/C10H18O5/c1-4-6(9(11)12)8(10(13)14)7(5-2)15-3/h6-8H,4-5H2,1-3H3,(H,11,12)(H,13,14)/p-2
InChIKeyCSFSPDXSLSQRDF-UHFFFAOYSA-L
MW216.23 g/mol
LogP-1.45
Rot. Bonds7

About 2-ethyl-3-(1-methoxypropyl)butanedioate

2-ethyl-3-(1-methoxypropyl)butanedioate (PubChem CID 23377164) has the molecular formula C10H16O5-2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-ethyl-3-(1-methoxypropyl)butanedioate.

Molecular Properties

Compound Name2-ethyl-3-(1-methoxypropyl)butanedioate
PubChem CID23377164
Molecular FormulaC10H16O5-2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name2-ethyl-3-(1-methoxypropyl)butanedioate
SMILESCCC(OC)C(C(=O)[O-])C(CC)C(=O)[O-]
InChIInChI=1S/C10H18O5/c1-4-6(9(11)12)8(10(13)14)7(5-2)15-3/h6-8H,4-5H2,1-3H3,(H,11,12)(H,13,14)/p-2
InChIKeyCSFSPDXSLSQRDF-UHFFFAOYSA-L
XLogP-1.45
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-1.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(1-methoxypropyl)butanedioate?
The IUPAC name of 2-ethyl-3-(1-methoxypropyl)butanedioate (CID 23377164) is 2-ethyl-3-(1-methoxypropyl)butanedioate.
What is the SMILES notation for 2-ethyl-3-(1-methoxypropyl)butanedioate?
The canonical SMILES for 2-ethyl-3-(1-methoxypropyl)butanedioate is CCC(OC)C(C(=O)[O-])C(CC)C(=O)[O-].
What is the InChIKey of 2-ethyl-3-(1-methoxypropyl)butanedioate?
The InChIKey is CSFSPDXSLSQRDF-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H18O5/c1-4-6(9(11)12)8(10(13)14)7(5-2)15-3/h6-8H,4-5H2,1-3H3,(H,11,12)(H,13,14)/p-2.
What are the key properties of 2-ethyl-3-(1-methoxypropyl)butanedioate?
2-ethyl-3-(1-methoxypropyl)butanedioate has a molecular weight of 216.23 g/mol, XLogP of -1.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(1-methoxypropyl)butanedioate is sourced from PubChem (CID 23377164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).