methyl 3-[(3-ethyloxetan-3-yl)methoxy]-2-methylprop-2-enoate

C11H18O4 — CID 174767758

IUPACmethyl 3-[(3-ethyloxetan-3-yl)methoxy]-2-methylprop-2-enoate
SMILESCCC1(COC=C(C)C(=O)OC)COC1
InChIInChI=1S/C11H18O4/c1-4-11(7-15-8-11)6-14-5-9(2)10(12)13-3/h5H,4,6-8H2,1-3H3
InChIKeyKXDJBJPCULXWLG-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.51
Rot. Bonds5

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

methyl 3-[(3-ethyloxetan-3-yl)methoxy]-2-methylprop-2-enoate (PubChem CID 174767758) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 3-[(3-ethyloxetan-3-yl)methoxy]-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[(3-ethyloxetan-3-yl)methoxy]-2-methylprop-2-enoate
PubChem CID174767758
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl 3-[(3-ethyloxetan-3-yl)methoxy]-2-methylprop-2-enoate
SMILESCCC1(COC=C(C)C(=O)OC)COC1
InChIInChI=1S/C11H18O4/c1-4-11(7-15-8-11)6-14-5-9(2)10(12)13-3/h5H,4,6-8H2,1-3H3
InChIKeyKXDJBJPCULXWLG-UHFFFAOYSA-N
XLogP1.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-ethyloxetan-3-yl)methoxy]-2-methylprop-2-enoate?
The IUPAC name of methyl 3-[(3-ethyloxetan-3-yl)methoxy]-2-methylprop-2-enoate (CID 174767758) is methyl 3-[(3-ethyloxetan-3-yl)methoxy]-2-methylprop-2-enoate.
What is the SMILES notation for methyl 3-[(3-ethyloxetan-3-yl)methoxy]-2-methylprop-2-enoate?
The canonical SMILES for methyl 3-[(3-ethyloxetan-3-yl)methoxy]-2-methylprop-2-enoate is CCC1(COC=C(C)C(=O)OC)COC1.
What is the InChIKey of methyl 3-[(3-ethyloxetan-3-yl)methoxy]-2-methylprop-2-enoate?
The InChIKey is KXDJBJPCULXWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-4-11(7-15-8-11)6-14-5-9(2)10(12)13-3/h5H,4,6-8H2,1-3H3.
What are the key properties of methyl 3-[(3-ethyloxetan-3-yl)methoxy]-2-methylprop-2-enoate?
methyl 3-[(3-ethyloxetan-3-yl)methoxy]-2-methylprop-2-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-ethyloxetan-3-yl)methoxy]-2-methylprop-2-enoate is sourced from PubChem (CID 174767758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).