ethyl 3-(1-ethenoxyethoxy)-2-methylprop-2-enoate

C10H16O4 — CID 175374157

IUPACethyl 3-(1-ethenoxyethoxy)-2-methylprop-2-enoate
SMILESC=COC(C)OC=C(C)C(=O)OCC
InChIInChI=1S/C10H16O4/c1-5-12-9(4)14-7-8(3)10(11)13-6-2/h5,7,9H,1,6H2,2-4H3
InChIKeyVDKLIWJTVMFOHS-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.98
Rot. Bonds6

About ethyl 3-(1-ethenoxyethoxy)-2-methylprop-2-enoate

ethyl 3-(1-ethenoxyethoxy)-2-methylprop-2-enoate (PubChem CID 175374157) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl 3-(1-ethenoxyethoxy)-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(1-ethenoxyethoxy)-2-methylprop-2-enoate
PubChem CID175374157
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl 3-(1-ethenoxyethoxy)-2-methylprop-2-enoate
SMILESC=COC(C)OC=C(C)C(=O)OCC
InChIInChI=1S/C10H16O4/c1-5-12-9(4)14-7-8(3)10(11)13-6-2/h5,7,9H,1,6H2,2-4H3
InChIKeyVDKLIWJTVMFOHS-UHFFFAOYSA-N
XLogP1.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate
CID 153430214
ethyl 3-ethenoxy-2-methylidenebutanoate
CID 139891834
ethyl 2-methyl-3-methylidenephosphanylprop-2-enoate
CID 91329650
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
bis(3-ethoxy-2-methyl-3-oxoprop-1-enyl) (Z)-but-2-enedioate
CID 174579403
ethyl (E)-2,4-dimethylhex-2-enoate
CID 12550546
ethyl (E,5S)-5-hydroxy-2-methyl-4-methylidenehex-2-enoate
CID 124705619
ethyl 3-amino-2-methylprop-2-enoate
CID 54558291
ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate
CID 173442797
ethyl 2-methyl-3-(propan-2-ylamino)prop-2-enoate
CID 171480672
ethyl (E,4S)-2,4-dimethyl-5-oxopent-2-enoate
CID 53392007
ethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate
CID 10488247

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-ethenoxyethoxy)-2-methylprop-2-enoate?
The IUPAC name of ethyl 3-(1-ethenoxyethoxy)-2-methylprop-2-enoate (CID 175374157) is ethyl 3-(1-ethenoxyethoxy)-2-methylprop-2-enoate.
What is the SMILES notation for ethyl 3-(1-ethenoxyethoxy)-2-methylprop-2-enoate?
The canonical SMILES for ethyl 3-(1-ethenoxyethoxy)-2-methylprop-2-enoate is C=COC(C)OC=C(C)C(=O)OCC.
What is the InChIKey of ethyl 3-(1-ethenoxyethoxy)-2-methylprop-2-enoate?
The InChIKey is VDKLIWJTVMFOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-12-9(4)14-7-8(3)10(11)13-6-2/h5,7,9H,1,6H2,2-4H3.
What are the key properties of ethyl 3-(1-ethenoxyethoxy)-2-methylprop-2-enoate?
ethyl 3-(1-ethenoxyethoxy)-2-methylprop-2-enoate has a molecular weight of 200.23 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-ethenoxyethoxy)-2-methylprop-2-enoate is sourced from PubChem (CID 175374157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).