dimethyl 3-(ethoxymethylidene)pentanedioate

C10H16O5 — CID 141473696

IUPACdimethyl 3-(ethoxymethylidene)pentanedioate
SMILESCCOC=C(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C10H16O5/c1-4-15-7-8(5-9(11)13-2)6-10(12)14-3/h7H,4-6H2,1-3H3
InChIKeyRSAUHXDMFCLGBM-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.03
Rot. Bonds6

About dimethyl 3-(ethoxymethylidene)pentanedioate

dimethyl 3-(ethoxymethylidene)pentanedioate (PubChem CID 141473696) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is dimethyl 3-(ethoxymethylidene)pentanedioate.

Molecular Properties

Compound Namedimethyl 3-(ethoxymethylidene)pentanedioate
PubChem CID141473696
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namedimethyl 3-(ethoxymethylidene)pentanedioate
SMILESCCOC=C(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C10H16O5/c1-4-15-7-8(5-9(11)13-2)6-10(12)14-3/h7H,4-6H2,1-3H3
InChIKeyRSAUHXDMFCLGBM-UHFFFAOYSA-N
XLogP1.03
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-(ethoxymethylidene)pentanedioate?
The IUPAC name of dimethyl 3-(ethoxymethylidene)pentanedioate (CID 141473696) is dimethyl 3-(ethoxymethylidene)pentanedioate.
What is the SMILES notation for dimethyl 3-(ethoxymethylidene)pentanedioate?
The canonical SMILES for dimethyl 3-(ethoxymethylidene)pentanedioate is CCOC=C(CC(=O)OC)CC(=O)OC.
What is the InChIKey of dimethyl 3-(ethoxymethylidene)pentanedioate?
The InChIKey is RSAUHXDMFCLGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-4-15-7-8(5-9(11)13-2)6-10(12)14-3/h7H,4-6H2,1-3H3.
What are the key properties of dimethyl 3-(ethoxymethylidene)pentanedioate?
dimethyl 3-(ethoxymethylidene)pentanedioate has a molecular weight of 216.23 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(ethoxymethylidene)pentanedioate is sourced from PubChem (CID 141473696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).