ethyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate

C10H18O4 — CID 131855889

IUPACethyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate
SMILESCCOC(=O)C(C)=C(C)C(OC)OC
InChIInChI=1S/C10H18O4/c1-6-14-9(11)7(2)8(3)10(12-4)13-5/h10H,6H2,1-5H3
InChIKeyATLUYVBFSUHELY-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.50
Rot. Bonds5

About ethyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate

ethyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate (PubChem CID 131855889) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate.

Molecular Properties

Compound Nameethyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate
PubChem CID131855889
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate
SMILESCCOC(=O)C(C)=C(C)C(OC)OC
InChIInChI=1S/C10H18O4/c1-6-14-9(11)7(2)8(3)10(12-4)13-5/h10H,6H2,1-5H3
InChIKeyATLUYVBFSUHELY-UHFFFAOYSA-N
XLogP1.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

silyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate
CID 175251380
ethyl (Z)-2,3-dimethyl-4-oxopent-2-enoate
CID 124678637
ethyl 3-amino-2,4-dimethylpent-2-enoate
CID 175523894
1-O-ethyl 4-O-methyl (Z)-3-hydroxy-2-methylbut-2-enedioate
CID 134922200
ethyl 2-fluoro-6,6-dimethoxy-5-methylhexa-2,4-dienoate
CID 56974212
(E)-4-ethoxy-2,3-dimethyl-4-oxobut-2-enoic acid;hydrochloride
CID 88651089
ethyl 2-oxo(213C)propanoate
CID 71309469
CID 159370772
CID 159370772
ethyl (E)-3-(ethylideneamino)-2-methylbut-2-enoate
CID 143807792
ethyl (Z)-3-methoxy-2-methyl-3-methylsulfanylprop-2-enoate
CID 10932242
ethyl 3-formyl-2-methyl-4-oxobut-2-enoate
CID 175554584
diethyl oxalate;ethyl acetate
CID 160900883

Frequently Asked Questions

What is the IUPAC name of ethyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate?
The IUPAC name of ethyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate (CID 131855889) is ethyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate.
What is the SMILES notation for ethyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate?
The canonical SMILES for ethyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate is CCOC(=O)C(C)=C(C)C(OC)OC.
What is the InChIKey of ethyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate?
The InChIKey is ATLUYVBFSUHELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-6-14-9(11)7(2)8(3)10(12-4)13-5/h10H,6H2,1-5H3.
What are the key properties of ethyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate?
ethyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate has a molecular weight of 202.25 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate is sourced from PubChem (CID 131855889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).