methyl 2-[(2-ethyloxetan-3-yl)methyl]prop-2-enoate

C10H16O3 — CID 174778329

IUPACmethyl 2-[(2-ethyloxetan-3-yl)methyl]prop-2-enoate
SMILESC=C(CC1COC1CC)C(=O)OC
InChIInChI=1S/C10H16O3/c1-4-9-8(6-13-9)5-7(2)10(11)12-3/h8-9H,2,4-6H2,1,3H3
InChIKeyQTLAXEINDGCESX-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.53
Rot. Bonds4

About methyl 2-[(2-ethyloxetan-3-yl)methyl]prop-2-enoate

methyl 2-[(2-ethyloxetan-3-yl)methyl]prop-2-enoate (PubChem CID 174778329) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 2-[(2-ethyloxetan-3-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyloxetan-3-yl)methyl]prop-2-enoate
PubChem CID174778329
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 2-[(2-ethyloxetan-3-yl)methyl]prop-2-enoate
SMILESC=C(CC1COC1CC)C(=O)OC
InChIInChI=1S/C10H16O3/c1-4-9-8(6-13-9)5-7(2)10(11)12-3/h8-9H,2,4-6H2,1,3H3
InChIKeyQTLAXEINDGCESX-UHFFFAOYSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-[(2-ethyloxetan-3-yl)methyl]prop-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 methyl 2-[(2-ethyloxetan-3-yl)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[(2-ethyloxetan-3-yl)methyl]prop-2-enoate (CID 174778329) is methyl 2-[(2-ethyloxetan-3-yl)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(2-ethyloxetan-3-yl)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[(2-ethyloxetan-3-yl)methyl]prop-2-enoate is C=C(CC1COC1CC)C(=O)OC.
What is the InChIKey of methyl 2-[(2-ethyloxetan-3-yl)methyl]prop-2-enoate?
The InChIKey is QTLAXEINDGCESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-9-8(6-13-9)5-7(2)10(11)12-3/h8-9H,2,4-6H2,1,3H3.
What are the key properties of methyl 2-[(2-ethyloxetan-3-yl)methyl]prop-2-enoate?
methyl 2-[(2-ethyloxetan-3-yl)methyl]prop-2-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyloxetan-3-yl)methyl]prop-2-enoate is sourced from PubChem (CID 174778329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).