(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate

C10H16O3 — CID 11159706

IUPAC(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1(CC)COC1
InChIInChI=1S/C10H16O3/c1-4-10(5-12-6-10)7-13-9(11)8(2)3/h2,4-7H2,1,3H3
InChIKeyRSHKWPIEJYAPCL-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.53
Rot. Bonds4

About (3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate

(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate (PubChem CID 11159706) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate
PubChem CID11159706
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1(CC)COC1
InChIInChI=1S/C10H16O3/c1-4-10(5-12-6-10)7-13-9(11)8(2)3/h2,4-7H2,1,3H3
InChIKeyRSHKWPIEJYAPCL-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'}

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Frequently Asked Questions

What is the IUPAC name of (3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate (CID 11159706) is (3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1(CC)COC1.
What is the InChIKey of (3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate?
The InChIKey is RSHKWPIEJYAPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-10(5-12-6-10)7-13-9(11)8(2)3/h2,4-7H2,1,3H3.
What are the key properties of (3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate?
(3-ethyloxetan-3-yl)methyl 2-methylprop-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 (3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 11159706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).