methyl 2-(2-ethenoxyethoxy)-4-methylpent-2-enoate

C11H18O4 — CID 174917618

IUPACmethyl 2-(2-ethenoxyethoxy)-4-methylpent-2-enoate
SMILESC=COCCOC(=CC(C)C)C(=O)OC
InChIInChI=1S/C11H18O4/c1-5-14-6-7-15-10(8-9(2)3)11(12)13-4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyAUWHCVBNOOQNFB-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.88
Rot. Bonds7

About methyl 2-(2-ethenoxyethoxy)-4-methylpent-2-enoate

methyl 2-(2-ethenoxyethoxy)-4-methylpent-2-enoate (PubChem CID 174917618) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 2-(2-ethenoxyethoxy)-4-methylpent-2-enoate.

Molecular Properties

Compound Namemethyl 2-(2-ethenoxyethoxy)-4-methylpent-2-enoate
PubChem CID174917618
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl 2-(2-ethenoxyethoxy)-4-methylpent-2-enoate
SMILESC=COCCOC(=CC(C)C)C(=O)OC
InChIInChI=1S/C11H18O4/c1-5-14-6-7-15-10(8-9(2)3)11(12)13-4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyAUWHCVBNOOQNFB-UHFFFAOYSA-N
XLogP1.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethenoxyethoxy)-4-methylpent-2-enoate?
The IUPAC name of methyl 2-(2-ethenoxyethoxy)-4-methylpent-2-enoate (CID 174917618) is methyl 2-(2-ethenoxyethoxy)-4-methylpent-2-enoate.
What is the SMILES notation for methyl 2-(2-ethenoxyethoxy)-4-methylpent-2-enoate?
The canonical SMILES for methyl 2-(2-ethenoxyethoxy)-4-methylpent-2-enoate is C=COCCOC(=CC(C)C)C(=O)OC.
What is the InChIKey of methyl 2-(2-ethenoxyethoxy)-4-methylpent-2-enoate?
The InChIKey is AUWHCVBNOOQNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-5-14-6-7-15-10(8-9(2)3)11(12)13-4/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of methyl 2-(2-ethenoxyethoxy)-4-methylpent-2-enoate?
methyl 2-(2-ethenoxyethoxy)-4-methylpent-2-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethenoxyethoxy)-4-methylpent-2-enoate is sourced from PubChem (CID 174917618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).