ethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate

C10H18O3 — CID 153430214

IUPACethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate
SMILESCCOC(=O)/C(C)=C/OCC(C)C
InChIInChI=1S/C10H18O3/c1-5-13-10(11)9(4)7-12-6-8(2)3/h7-8H,5-6H2,1-4H3/b9-7+
InChIKeyVISYBIWQAXUIRY-VQHVLOKHSA-N
MW186.25 g/mol
LogP2.13
Rot. Bonds5

About ethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate

ethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate (PubChem CID 153430214) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate
PubChem CID153430214
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate
SMILESCCOC(=O)/C(C)=C/OCC(C)C
InChIInChI=1S/C10H18O3/c1-5-13-10(11)9(4)7-12-6-8(2)3/h7-8H,5-6H2,1-4H3/b9-7+
InChIKeyVISYBIWQAXUIRY-VQHVLOKHSA-N
XLogP2.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate
CID 173442797
ethyl 2-methyl-3-(2-oxo-3-sulfanylpropoxy)prop-2-enoate
CID 175353840
propyl (E)-3-ethoxy-2-methylprop-2-enoate
CID 88810340
ethyl 2-(ethoxymethylidene)-4-methylpentanoate
CID 154330552
ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate
CID 174610941
ethyl 3-(1-ethenoxyethoxy)-2-methylprop-2-enoate
CID 175374157
bis(3-ethoxy-2-methyl-3-oxoprop-1-enyl) (Z)-but-2-enedioate
CID 174579403
ethyl (E)-2,4-dimethylhex-2-enoate
CID 12550546
2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate
CID 173011903
ethyl (E)-4-(dimethylamino)-2,5-dimethylhex-2-enoate
CID 88573956
ethyl (E)-3-[dimethoxy(methyl)silyl]oxy-2-methylprop-2-enoate
CID 21285834
ethyl 3-amino-2-methylprop-2-enoate
CID 54558291

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate?
The IUPAC name of ethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate (CID 153430214) is ethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate.
What is the SMILES notation for ethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate?
The canonical SMILES for ethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate is CCOC(=O)/C(C)=C/OCC(C)C.
What is the InChIKey of ethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate?
The InChIKey is VISYBIWQAXUIRY-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-13-10(11)9(4)7-12-6-8(2)3/h7-8H,5-6H2,1-4H3/b9-7+.
What are the key properties of ethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate?
ethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate has a molecular weight of 186.25 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate is sourced from PubChem (CID 153430214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).