(2-ethyl-5-methoxy-3,5-dimethyloxolan-3-yl) 2-methylprop-2-enoate

C13H22O4 — CID 130346273

IUPAC(2-ethyl-5-methoxy-3,5-dimethyloxolan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CC(C)(OC)OC1CC
InChIInChI=1S/C13H22O4/c1-7-10-12(4,17-11(14)9(2)3)8-13(5,15-6)16-10/h10H,2,7-8H2,1,3-6H3
InChIKeyOXXZMDPRYALHGQ-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.43
Rot. Bonds4

About (2-ethyl-5-methoxy-3,5-dimethyloxolan-3-yl) 2-methylprop-2-enoate

(2-ethyl-5-methoxy-3,5-dimethyloxolan-3-yl) 2-methylprop-2-enoate (PubChem CID 130346273) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is (2-ethyl-5-methoxy-3,5-dimethyloxolan-3-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-ethyl-5-methoxy-3,5-dimethyloxolan-3-yl) 2-methylprop-2-enoate
PubChem CID130346273
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name(2-ethyl-5-methoxy-3,5-dimethyloxolan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C)CC(C)(OC)OC1CC
InChIInChI=1S/C13H22O4/c1-7-10-12(4,17-11(14)9(2)3)8-13(5,15-6)16-10/h10H,2,7-8H2,1,3-6H3
InChIKeyOXXZMDPRYALHGQ-UHFFFAOYSA-N
XLogP2.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2-ethyl-5-methoxy-3,5-dimethyloxolan-3-yl) 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

(2,3-diethyl-5-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 90337387
(2-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl) 2-methylprop-2-enoate
CID 150411058
[(3S,4S)-3,4-dimethyl-5-oxooxolan-3-yl] 2-methylprop-2-enoate
CID 118501645
[2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate
CID 135225191
(1-methyl-2-propoxycyclohexyl) 2-methylprop-2-enoate
CID 58844002
(2,4-diethoxy-1-methylcyclohexyl) 2-methylprop-2-enoate
CID 135225174
methyl 5-ethylsulfanyl-2-methyl-2-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate
CID 135226853
(1,4-diethylcyclohexyl) 2-methylprop-2-enoate
CID 58844030
(1,2-diethylcyclooctyl) 2-methylprop-2-enoate
CID 175495311
ethyl 2-methylprop-2-enoate
CID 130475774
[(3R,5S)-3,5-dihydroxy-1-adamantyl] 2-methylprop-2-enoate
CID 23583089
[2-(2-methylprop-2-enoyloxy)oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 141141914

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methoxy-3,5-dimethyloxolan-3-yl) 2-methylprop-2-enoate?
The IUPAC name of (2-ethyl-5-methoxy-3,5-dimethyloxolan-3-yl) 2-methylprop-2-enoate (CID 130346273) is (2-ethyl-5-methoxy-3,5-dimethyloxolan-3-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-ethyl-5-methoxy-3,5-dimethyloxolan-3-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2-ethyl-5-methoxy-3,5-dimethyloxolan-3-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C)CC(C)(OC)OC1CC.
What is the InChIKey of (2-ethyl-5-methoxy-3,5-dimethyloxolan-3-yl) 2-methylprop-2-enoate?
The InChIKey is OXXZMDPRYALHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-7-10-12(4,17-11(14)9(2)3)8-13(5,15-6)16-10/h10H,2,7-8H2,1,3-6H3.
What are the key properties of (2-ethyl-5-methoxy-3,5-dimethyloxolan-3-yl) 2-methylprop-2-enoate?
(2-ethyl-5-methoxy-3,5-dimethyloxolan-3-yl) 2-methylprop-2-enoate has a molecular weight of 242.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methoxy-3,5-dimethyloxolan-3-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 130346273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).