(3-ethyl-2-methyloxetan-3-yl) 2-methylprop-2-enoate;(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate

C20H32O6 — CID 158356798

IUPAC(3-ethyl-2-methyloxetan-3-yl) 2-methylprop-2-enoate;(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CC)COC1C.C=C(C)C(=O)OCC1(CC)COC1
InChIInChI=1S/2C10H16O3/c1-5-10(6-12-8(10)4)13-9(11)7(2)3;1-4-10(5-12-6-10)7-13-9(11)8(2)3/h8H,2,5-6H2,1,3-4H3;2,4-7H2,1,3H3
InChIKeyGSYZQXGVAFMQLA-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.21
Rot. Bonds7

About (3-ethyl-2-methyloxetan-3-yl) 2-methylprop-2-enoate;(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate

(3-ethyl-2-methyloxetan-3-yl) 2-methylprop-2-enoate;(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate (PubChem CID 158356798) has the molecular formula C20H32O6 and a molecular weight of 368.47 g/mol. Its IUPAC name is (3-ethyl-2-methyloxetan-3-yl) 2-methylprop-2-enoate;(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-ethyl-2-methyloxetan-3-yl) 2-methylprop-2-enoate;(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate
PubChem CID158356798
Molecular FormulaC20H32O6
Molecular Weight368.47 g/mol
Exact Mass368.22
IUPAC Name(3-ethyl-2-methyloxetan-3-yl) 2-methylprop-2-enoate;(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CC)COC1C.C=C(C)C(=O)OCC1(CC)COC1
InChIInChI=1S/2C10H16O3/c1-5-10(6-12-8(10)4)13-9(11)7(2)3;1-4-10(5-12-6-10)7-13-9(11)8(2)3/h8H,2,5-6H2,1,3-4H3;2,4-7H2,1,3H3
InChIKeyGSYZQXGVAFMQLA-UHFFFAOYSA-N
XLogP3.21
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3-ethyl-2-methyloxetan-3-yl) 2-methylprop-2-enoate;(3-ethyloxetan-3-yl)methyl 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 (3-ethyl-2-methyloxetan-3-yl) 2-methylprop-2-enoate;(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (3-ethyl-2-methyloxetan-3-yl) 2-methylprop-2-enoate;(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate (CID 158356798) is (3-ethyl-2-methyloxetan-3-yl) 2-methylprop-2-enoate;(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (3-ethyl-2-methyloxetan-3-yl) 2-methylprop-2-enoate;(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (3-ethyl-2-methyloxetan-3-yl) 2-methylprop-2-enoate;(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC1(CC)COC1C.C=C(C)C(=O)OCC1(CC)COC1.
What is the InChIKey of (3-ethyl-2-methyloxetan-3-yl) 2-methylprop-2-enoate;(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate?
The InChIKey is GSYZQXGVAFMQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H16O3/c1-5-10(6-12-8(10)4)13-9(11)7(2)3;1-4-10(5-12-6-10)7-13-9(11)8(2)3/h8H,2,5-6H2,1,3-4H3;2,4-7H2,1,3H3.
What are the key properties of (3-ethyl-2-methyloxetan-3-yl) 2-methylprop-2-enoate;(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate?
(3-ethyl-2-methyloxetan-3-yl) 2-methylprop-2-enoate;(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate has a molecular weight of 368.47 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-methyloxetan-3-yl) 2-methylprop-2-enoate;(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 158356798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).