ethyl 2-(methoxymethoxy)cyclopentene-1-carboxylate

C10H16O4 — CID 134986294

IUPACethyl 2-(methoxymethoxy)cyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(OCOC)CCC1
InChIInChI=1S/C10H16O4/c1-3-13-10(11)8-5-4-6-9(8)14-7-12-2/h3-7H2,1-2H3
InChIKeyIOGMCJPCSHDMKA-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.61
Rot. Bonds5

About ethyl 2-(methoxymethoxy)cyclopentene-1-carboxylate

ethyl 2-(methoxymethoxy)cyclopentene-1-carboxylate (PubChem CID 134986294) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl 2-(methoxymethoxy)cyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(methoxymethoxy)cyclopentene-1-carboxylate
PubChem CID134986294
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl 2-(methoxymethoxy)cyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C(OCOC)CCC1
InChIInChI=1S/C10H16O4/c1-3-13-10(11)8-5-4-6-9(8)14-7-12-2/h3-7H2,1-2H3
InChIKeyIOGMCJPCSHDMKA-UHFFFAOYSA-N
XLogP1.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methoxymethoxy)cyclopentene-1-carboxylate?
The IUPAC name of ethyl 2-(methoxymethoxy)cyclopentene-1-carboxylate (CID 134986294) is ethyl 2-(methoxymethoxy)cyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 2-(methoxymethoxy)cyclopentene-1-carboxylate?
The canonical SMILES for ethyl 2-(methoxymethoxy)cyclopentene-1-carboxylate is CCOC(=O)C1=C(OCOC)CCC1.
What is the InChIKey of ethyl 2-(methoxymethoxy)cyclopentene-1-carboxylate?
The InChIKey is IOGMCJPCSHDMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-13-10(11)8-5-4-6-9(8)14-7-12-2/h3-7H2,1-2H3.
What are the key properties of ethyl 2-(methoxymethoxy)cyclopentene-1-carboxylate?
ethyl 2-(methoxymethoxy)cyclopentene-1-carboxylate has a molecular weight of 200.23 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methoxymethoxy)cyclopentene-1-carboxylate is sourced from PubChem (CID 134986294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).