2-(1-methoxyethoxy)ethyl 2-methylprop-2-enoate

C9H16O4 — CID 15529245

IUPAC2-(1-methoxyethoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(C)OC
InChIInChI=1S/C9H16O4/c1-7(2)9(10)13-6-5-12-8(3)11-4/h8H,1,5-6H2,2-4H3
InChIKeyUENLNBAPZZRVBQ-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.11
Rot. Bonds6

About 2-(1-methoxyethoxy)ethyl 2-methylprop-2-enoate

2-(1-methoxyethoxy)ethyl 2-methylprop-2-enoate (PubChem CID 15529245) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-(1-methoxyethoxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(1-methoxyethoxy)ethyl 2-methylprop-2-enoate
PubChem CID15529245
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-(1-methoxyethoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(C)OC
InChIInChI=1S/C9H16O4/c1-7(2)9(10)13-6-5-12-8(3)11-4/h8H,1,5-6H2,2-4H3
InChIKeyUENLNBAPZZRVBQ-UHFFFAOYSA-N
XLogP1.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethoxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(1-methoxyethoxy)ethyl 2-methylprop-2-enoate (CID 15529245) is 2-(1-methoxyethoxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(1-methoxyethoxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(1-methoxyethoxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(C)OC.
What is the InChIKey of 2-(1-methoxyethoxy)ethyl 2-methylprop-2-enoate?
The InChIKey is UENLNBAPZZRVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-7(2)9(10)13-6-5-12-8(3)11-4/h8H,1,5-6H2,2-4H3.
What are the key properties of 2-(1-methoxyethoxy)ethyl 2-methylprop-2-enoate?
2-(1-methoxyethoxy)ethyl 2-methylprop-2-enoate has a molecular weight of 188.22 g/mol, XLogP of 1.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethoxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 15529245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).