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

C10H16O5 — CID 11106763

IUPAC2-(1-acetyloxyethoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(C)OC(C)=O
InChIInChI=1S/C10H16O5/c1-7(2)10(12)14-6-5-13-9(4)15-8(3)11/h9H,1,5-6H2,2-4H3
InChIKeyBVLSGBRWIKXZIB-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.03
Rot. Bonds6

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

2-(1-acetyloxyethoxy)ethyl 2-methylprop-2-enoate (PubChem CID 11106763) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-(1-acetyloxyethoxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(1-acetyloxyethoxy)ethyl 2-methylprop-2-enoate
PubChem CID11106763
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name2-(1-acetyloxyethoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(C)OC(C)=O
InChIInChI=1S/C10H16O5/c1-7(2)10(12)14-6-5-13-9(4)15-8(3)11/h9H,1,5-6H2,2-4H3
InChIKeyBVLSGBRWIKXZIB-UHFFFAOYSA-N
XLogP1.03
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

Analyze 2-(1-acetyloxyethoxy)ethyl 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

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyloxyethoxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(1-acetyloxyethoxy)ethyl 2-methylprop-2-enoate (CID 11106763) is 2-(1-acetyloxyethoxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(1-acetyloxyethoxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(1-acetyloxyethoxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(C)OC(C)=O.
What is the InChIKey of 2-(1-acetyloxyethoxy)ethyl 2-methylprop-2-enoate?
The InChIKey is BVLSGBRWIKXZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-7(2)10(12)14-6-5-13-9(4)15-8(3)11/h9H,1,5-6H2,2-4H3.
What are the key properties of 2-(1-acetyloxyethoxy)ethyl 2-methylprop-2-enoate?
2-(1-acetyloxyethoxy)ethyl 2-methylprop-2-enoate has a molecular weight of 216.23 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyloxyethoxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 11106763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).