ethyl (Z)-3-ethoxy-3-(1-hydroxyethoxy)-2-methylprop-2-enoate

C10H18O5 — CID 176571916

IUPACethyl (Z)-3-ethoxy-3-(1-hydroxyethoxy)-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C(/OCC)OC(C)O
InChIInChI=1S/C10H18O5/c1-5-13-9(12)7(3)10(14-6-2)15-8(4)11/h8,11H,5-6H2,1-4H3/b10-7-
InChIKeyKDUPQLJPTILWLE-YFHOEESVSA-N
MW218.25 g/mol
LogP1.17
Rot. Bonds6

About ethyl (Z)-3-ethoxy-3-(1-hydroxyethoxy)-2-methylprop-2-enoate

ethyl (Z)-3-ethoxy-3-(1-hydroxyethoxy)-2-methylprop-2-enoate (PubChem CID 176571916) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is ethyl (Z)-3-ethoxy-3-(1-hydroxyethoxy)-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-ethoxy-3-(1-hydroxyethoxy)-2-methylprop-2-enoate
PubChem CID176571916
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Nameethyl (Z)-3-ethoxy-3-(1-hydroxyethoxy)-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C(/OCC)OC(C)O
InChIInChI=1S/C10H18O5/c1-5-13-9(12)7(3)10(14-6-2)15-8(4)11/h8,11H,5-6H2,1-4H3/b10-7-
InChIKeyKDUPQLJPTILWLE-YFHOEESVSA-N
XLogP1.17
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze ethyl (Z)-3-ethoxy-3-(1-hydroxyethoxy)-2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-amino-2,4-dimethylpent-2-enoate
CID 175523894
ethyl (Z)-2,3-dimethyl-4-oxopent-2-enoate
CID 124678637
diethyl oxalate;ethyl acetate
CID 160900883
ethyl acetate;bis(propan-2-ol)
CID 87186921
ethyl 2,3,6-trimethylhept-2-enoate
CID 104503390
ethyl acetate;propan-2-ol;hydrate
CID 22041847
(E)-4-ethoxy-2,3-dimethyl-4-oxobut-2-enoic acid;hydrochloride
CID 88651089
ethyl 4,4-dimethoxy-2,3-dimethylbut-2-enoate
CID 131855889
butan-2-ol;ethyl 2-methylprop-2-enoate
CID 91162607
ethyl 2-oxo(213C)propanoate
CID 71309469
bis(butan-2-ol);ethyl acetate
CID 139558654
ethyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 642623

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-ethoxy-3-(1-hydroxyethoxy)-2-methylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-ethoxy-3-(1-hydroxyethoxy)-2-methylprop-2-enoate (CID 176571916) is ethyl (Z)-3-ethoxy-3-(1-hydroxyethoxy)-2-methylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-ethoxy-3-(1-hydroxyethoxy)-2-methylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-ethoxy-3-(1-hydroxyethoxy)-2-methylprop-2-enoate is CCOC(=O)/C(C)=C(/OCC)OC(C)O.
What is the InChIKey of ethyl (Z)-3-ethoxy-3-(1-hydroxyethoxy)-2-methylprop-2-enoate?
The InChIKey is KDUPQLJPTILWLE-YFHOEESVSA-N. The full InChI is InChI=1S/C10H18O5/c1-5-13-9(12)7(3)10(14-6-2)15-8(4)11/h8,11H,5-6H2,1-4H3/b10-7-.
What are the key properties of ethyl (Z)-3-ethoxy-3-(1-hydroxyethoxy)-2-methylprop-2-enoate?
ethyl (Z)-3-ethoxy-3-(1-hydroxyethoxy)-2-methylprop-2-enoate has a molecular weight of 218.25 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-ethoxy-3-(1-hydroxyethoxy)-2-methylprop-2-enoate is sourced from PubChem (CID 176571916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).