ethyl (Z)-3-methoxy-2-methyl-3-methylsulfanylprop-2-enoate

C8H14O3S — CID 10932242

IUPACethyl (Z)-3-methoxy-2-methyl-3-methylsulfanylprop-2-enoate
SMILESCCOC(=O)/C(C)=C(/OC)SC
InChIInChI=1S/C8H14O3S/c1-5-11-7(9)6(2)8(10-3)12-4/h5H2,1-4H3/b8-6-
InChIKeyAOWUDDHWHILGEF-VURMDHGXSA-N
MW190.26 g/mol
LogP1.79
Rot. Bonds4

About ethyl (Z)-3-methoxy-2-methyl-3-methylsulfanylprop-2-enoate

ethyl (Z)-3-methoxy-2-methyl-3-methylsulfanylprop-2-enoate (PubChem CID 10932242) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is ethyl (Z)-3-methoxy-2-methyl-3-methylsulfanylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-methoxy-2-methyl-3-methylsulfanylprop-2-enoate
PubChem CID10932242
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Nameethyl (Z)-3-methoxy-2-methyl-3-methylsulfanylprop-2-enoate
SMILESCCOC(=O)/C(C)=C(/OC)SC
InChIInChI=1S/C8H14O3S/c1-5-11-7(9)6(2)8(10-3)12-4/h5H2,1-4H3/b8-6-
InChIKeyAOWUDDHWHILGEF-VURMDHGXSA-N
XLogP1.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(Z)-4-methoxy-3-methyl-4-methylsulfanylbut-3-en-2-one
CID 11094929
1-O-ethyl 4-O-methyl (Z)-3-hydroxy-2-methylbut-2-enedioate
CID 134922200
(E)-4-ethoxy-2,3-dimethyl-4-oxobut-2-enoic acid;hydrochloride
CID 88651089
ethyl (Z)-2,3-dimethyl-4-oxopent-2-enoate
CID 124678637
ethyl (Z)-2-amino-3-aminosulfanylbut-2-enoate
CID 164861592
ethyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate
CID 131855889
ethyl 2-oxo(213C)propanoate
CID 71309469
1-O-ethyl 3-O-methyl 2-oxopropanedioate
CID 547672
CID 159370772
CID 159370772
ethyl 3,3-diformamido-2-methylprop-2-enoate
CID 87660528
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 (Z)-3-methoxy-2-methyl-3-methylsulfanylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-methoxy-2-methyl-3-methylsulfanylprop-2-enoate (CID 10932242) is ethyl (Z)-3-methoxy-2-methyl-3-methylsulfanylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-methoxy-2-methyl-3-methylsulfanylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-methoxy-2-methyl-3-methylsulfanylprop-2-enoate is CCOC(=O)/C(C)=C(/OC)SC.
What is the InChIKey of ethyl (Z)-3-methoxy-2-methyl-3-methylsulfanylprop-2-enoate?
The InChIKey is AOWUDDHWHILGEF-VURMDHGXSA-N. The full InChI is InChI=1S/C8H14O3S/c1-5-11-7(9)6(2)8(10-3)12-4/h5H2,1-4H3/b8-6-.
What are the key properties of ethyl (Z)-3-methoxy-2-methyl-3-methylsulfanylprop-2-enoate?
ethyl (Z)-3-methoxy-2-methyl-3-methylsulfanylprop-2-enoate has a molecular weight of 190.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-methoxy-2-methyl-3-methylsulfanylprop-2-enoate is sourced from PubChem (CID 10932242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).