methyl 5-ethenoxy-2-methylidenepentanoate

C9H14O3 — CID 23505086

IUPACmethyl 5-ethenoxy-2-methylidenepentanoate
SMILESC=COCCCC(=C)C(=O)OC
InChIInChI=1S/C9H14O3/c1-4-12-7-5-6-8(2)9(10)11-3/h4H,1-2,5-7H2,3H3
InChIKeyFYSKWXAOTIWVGY-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.66
Rot. Bonds6

About methyl 5-ethenoxy-2-methylidenepentanoate

methyl 5-ethenoxy-2-methylidenepentanoate (PubChem CID 23505086) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is methyl 5-ethenoxy-2-methylidenepentanoate.

Molecular Properties

Compound Namemethyl 5-ethenoxy-2-methylidenepentanoate
PubChem CID23505086
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namemethyl 5-ethenoxy-2-methylidenepentanoate
SMILESC=COCCCC(=C)C(=O)OC
InChIInChI=1S/C9H14O3/c1-4-12-7-5-6-8(2)9(10)11-3/h4H,1-2,5-7H2,3H3
InChIKeyFYSKWXAOTIWVGY-UHFFFAOYSA-N
XLogP1.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethenoxy-2-methylidenepentanoate?
The IUPAC name of methyl 5-ethenoxy-2-methylidenepentanoate (CID 23505086) is methyl 5-ethenoxy-2-methylidenepentanoate.
What is the SMILES notation for methyl 5-ethenoxy-2-methylidenepentanoate?
The canonical SMILES for methyl 5-ethenoxy-2-methylidenepentanoate is C=COCCCC(=C)C(=O)OC.
What is the InChIKey of methyl 5-ethenoxy-2-methylidenepentanoate?
The InChIKey is FYSKWXAOTIWVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-4-12-7-5-6-8(2)9(10)11-3/h4H,1-2,5-7H2,3H3.
What are the key properties of methyl 5-ethenoxy-2-methylidenepentanoate?
methyl 5-ethenoxy-2-methylidenepentanoate has a molecular weight of 170.21 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethenoxy-2-methylidenepentanoate is sourced from PubChem (CID 23505086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).