ethyl 2-(2-methoxyethyl)pent-4-enoate

C10H18O3 — CID 22011260

IUPACethyl 2-(2-methoxyethyl)pent-4-enoate
SMILESC=CCC(CCOC)C(=O)OCC
InChIInChI=1S/C10H18O3/c1-4-6-9(7-8-12-3)10(11)13-5-2/h4,9H,1,5-8H2,2-3H3
InChIKeyMJRZRAYEFIFNKQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.78
Rot. Bonds7

About ethyl 2-(2-methoxyethyl)pent-4-enoate

ethyl 2-(2-methoxyethyl)pent-4-enoate (PubChem CID 22011260) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 2-(2-methoxyethyl)pent-4-enoate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyethyl)pent-4-enoate
PubChem CID22011260
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethyl 2-(2-methoxyethyl)pent-4-enoate
SMILESC=CCC(CCOC)C(=O)OCC
InChIInChI=1S/C10H18O3/c1-4-6-9(7-8-12-3)10(11)13-5-2/h4,9H,1,5-8H2,2-3H3
InChIKeyMJRZRAYEFIFNKQ-UHFFFAOYSA-N
XLogP1.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxyethyl)pent-4-enoate?
The IUPAC name of ethyl 2-(2-methoxyethyl)pent-4-enoate (CID 22011260) is ethyl 2-(2-methoxyethyl)pent-4-enoate.
What is the SMILES notation for ethyl 2-(2-methoxyethyl)pent-4-enoate?
The canonical SMILES for ethyl 2-(2-methoxyethyl)pent-4-enoate is C=CCC(CCOC)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-methoxyethyl)pent-4-enoate?
The InChIKey is MJRZRAYEFIFNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-6-9(7-8-12-3)10(11)13-5-2/h4,9H,1,5-8H2,2-3H3.
What are the key properties of ethyl 2-(2-methoxyethyl)pent-4-enoate?
ethyl 2-(2-methoxyethyl)pent-4-enoate has a molecular weight of 186.25 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxyethyl)pent-4-enoate is sourced from PubChem (CID 22011260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).