ethyl 2-ethenoxy-3-methoxy-2-methylbut-3-enoate

C10H16O4 — CID 10798090

IUPACethyl 2-ethenoxy-3-methoxy-2-methylbut-3-enoate
SMILESC=COC(C)(C(=C)OC)C(=O)OCC
InChIInChI=1S/C10H16O4/c1-6-13-9(11)10(4,14-7-2)8(3)12-5/h7H,2-3,6H2,1,4-5H3
InChIKeyGHHJGRBZODKJBJ-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.63
Rot. Bonds6

About ethyl 2-ethenoxy-3-methoxy-2-methylbut-3-enoate

ethyl 2-ethenoxy-3-methoxy-2-methylbut-3-enoate (PubChem CID 10798090) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl 2-ethenoxy-3-methoxy-2-methylbut-3-enoate.

Molecular Properties

Compound Nameethyl 2-ethenoxy-3-methoxy-2-methylbut-3-enoate
PubChem CID10798090
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl 2-ethenoxy-3-methoxy-2-methylbut-3-enoate
SMILESC=COC(C)(C(=C)OC)C(=O)OCC
InChIInChI=1S/C10H16O4/c1-6-13-9(11)10(4,14-7-2)8(3)12-5/h7H,2-3,6H2,1,4-5H3
InChIKeyGHHJGRBZODKJBJ-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(ethylamino)-2-methylbut-3-enoate
CID 123159457
ethyl 2,2-dimethylhex-5-enoate
CID 14906730
1-O-ethyl 4-O-prop-2-enyl 2,2,3,3-tetramethylbutanedioate
CID 59122625
diethyl 2-acetyloxy-2-methylpropanedioate
CID 14271792
ethyl 2-amino-2-methylpent-4-enoate
CID 10103394
ethyl 2-methyl-2-(2-methylpropylamino)hex-5-enoate
CID 104656044
diethyl 2-amino-2-but-3-enylpropanedioate
CID 62705267
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
diethyl 2-(2-chloroprop-2-enyl)-2-formamidopropanedioate
CID 13448034
ethyl (2S)-2-acetyl-2-methylpent-4-enoate
CID 10943138
ethyl 2-acetyl-2-methylpent-4-enoate
CID 10910217
ethyl 2-ethenyl-2,5,5-trimethylhexanoate
CID 102638995

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethenoxy-3-methoxy-2-methylbut-3-enoate?
The IUPAC name of ethyl 2-ethenoxy-3-methoxy-2-methylbut-3-enoate (CID 10798090) is ethyl 2-ethenoxy-3-methoxy-2-methylbut-3-enoate.
What is the SMILES notation for ethyl 2-ethenoxy-3-methoxy-2-methylbut-3-enoate?
The canonical SMILES for ethyl 2-ethenoxy-3-methoxy-2-methylbut-3-enoate is C=COC(C)(C(=C)OC)C(=O)OCC.
What is the InChIKey of ethyl 2-ethenoxy-3-methoxy-2-methylbut-3-enoate?
The InChIKey is GHHJGRBZODKJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-6-13-9(11)10(4,14-7-2)8(3)12-5/h7H,2-3,6H2,1,4-5H3.
What are the key properties of ethyl 2-ethenoxy-3-methoxy-2-methylbut-3-enoate?
ethyl 2-ethenoxy-3-methoxy-2-methylbut-3-enoate has a molecular weight of 200.23 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethenoxy-3-methoxy-2-methylbut-3-enoate is sourced from PubChem (CID 10798090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).