ethyl 3-ethenoxy-2-methylidenebutanoate

C9H14O3 — CID 139891834

IUPACethyl 3-ethenoxy-2-methylidenebutanoate
SMILESC=COC(C)C(=C)C(=O)OCC
InChIInChI=1S/C9H14O3/c1-5-11-8(4)7(3)9(10)12-6-2/h5,8H,1,3,6H2,2,4H3
InChIKeyMEGNMUIKIDPXJX-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.65
Rot. Bonds5

About ethyl 3-ethenoxy-2-methylidenebutanoate

ethyl 3-ethenoxy-2-methylidenebutanoate (PubChem CID 139891834) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethyl 3-ethenoxy-2-methylidenebutanoate.

Molecular Properties

Compound Nameethyl 3-ethenoxy-2-methylidenebutanoate
PubChem CID139891834
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Nameethyl 3-ethenoxy-2-methylidenebutanoate
SMILESC=COC(C)C(=C)C(=O)OCC
InChIInChI=1S/C9H14O3/c1-5-11-8(4)7(3)9(10)12-6-2/h5,8H,1,3,6H2,2,4H3
InChIKeyMEGNMUIKIDPXJX-UHFFFAOYSA-N
XLogP1.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.65
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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Related Compounds

ethyl 3-[4-(3-ethoxycarbonylbut-3-en-2-yloxy)butoxy]-2-methylidenebutanoate
CID 22894432
ethyl 3-[3-(3-ethoxycarbonylbut-3-en-2-yloxy)propoxy]-2-methylidenebutanoate
CID 23524670
ethyl (3S)-3-hydroxy-2-methylidenebutanoate
CID 11094746
ethyl 3-(1-ethenoxyethoxy)-2-methylprop-2-enoate
CID 175374157
ethyl 3-(1-cyanoethoxy)-2-methylidenebutanoate
CID 20536722
ethyl 2-methylidene-3-phenylbutanoate
CID 10081635
ethyl 2-(diformamidomethyl)prop-2-enoate
CID 23020082
ethyl 3-(2-methoxy-3-methylbutan-2-yl)peroxy-2-methylidenebutanoate
CID 10355245
ethyl 3-(1-methylcyclopentyl)peroxy-2-methylidenebutanoate
CID 11139294
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
ethyl 3-(3-hydroxy-2-iodophenoxy)-2-methylidenebutanoate
CID 101262982
3-O-[3-(2-ethoxycarbonylprop-2-enoyloxy)-2-methylpropyl] 1-O-ethyl 2-methylidenepropanedioate
CID 155375651

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethenoxy-2-methylidenebutanoate?
The IUPAC name of ethyl 3-ethenoxy-2-methylidenebutanoate (CID 139891834) is ethyl 3-ethenoxy-2-methylidenebutanoate.
What is the SMILES notation for ethyl 3-ethenoxy-2-methylidenebutanoate?
The canonical SMILES for ethyl 3-ethenoxy-2-methylidenebutanoate is C=COC(C)C(=C)C(=O)OCC.
What is the InChIKey of ethyl 3-ethenoxy-2-methylidenebutanoate?
The InChIKey is MEGNMUIKIDPXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-5-11-8(4)7(3)9(10)12-6-2/h5,8H,1,3,6H2,2,4H3.
What are the key properties of ethyl 3-ethenoxy-2-methylidenebutanoate?
ethyl 3-ethenoxy-2-methylidenebutanoate has a molecular weight of 170.21 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethenoxy-2-methylidenebutanoate is sourced from PubChem (CID 139891834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).