ethyl (2Z)-2-(1-methoxyethylidene)pentanoate

C10H18O3 — CID 130329968

IUPACethyl (2Z)-2-(1-methoxyethylidene)pentanoate
SMILESCCC/C(C(=O)OCC)=C(\C)OC
InChIInChI=1S/C10H18O3/c1-5-7-9(8(3)12-4)10(11)13-6-2/h5-7H2,1-4H3/b9-8-
InChIKeyUDDHEOKIGSPRLA-HJWRWDBZSA-N
MW186.25 g/mol
LogP2.27
Rot. Bonds5

About ethyl (2Z)-2-(1-methoxyethylidene)pentanoate

ethyl (2Z)-2-(1-methoxyethylidene)pentanoate (PubChem CID 130329968) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl (2Z)-2-(1-methoxyethylidene)pentanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-(1-methoxyethylidene)pentanoate
PubChem CID130329968
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethyl (2Z)-2-(1-methoxyethylidene)pentanoate
SMILESCCC/C(C(=O)OCC)=C(\C)OC
InChIInChI=1S/C10H18O3/c1-5-7-9(8(3)12-4)10(11)13-6-2/h5-7H2,1-4H3/b9-8-
InChIKeyUDDHEOKIGSPRLA-HJWRWDBZSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(1-methoxyethylidene)pentanoate?
The IUPAC name of ethyl (2Z)-2-(1-methoxyethylidene)pentanoate (CID 130329968) is ethyl (2Z)-2-(1-methoxyethylidene)pentanoate.
What is the SMILES notation for ethyl (2Z)-2-(1-methoxyethylidene)pentanoate?
The canonical SMILES for ethyl (2Z)-2-(1-methoxyethylidene)pentanoate is CCC/C(C(=O)OCC)=C(\C)OC.
What is the InChIKey of ethyl (2Z)-2-(1-methoxyethylidene)pentanoate?
The InChIKey is UDDHEOKIGSPRLA-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-7-9(8(3)12-4)10(11)13-6-2/h5-7H2,1-4H3/b9-8-.
What are the key properties of ethyl (2Z)-2-(1-methoxyethylidene)pentanoate?
ethyl (2Z)-2-(1-methoxyethylidene)pentanoate has a molecular weight of 186.25 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(1-methoxyethylidene)pentanoate is sourced from PubChem (CID 130329968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).