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

C15H24O5 — CID 170853259

IUPAC(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCC1(CC)COC1
InChIInChI=1S/C10H16O3.C5H8O2/c1-4-10(5-12-6-10)7-13-9(11)8(2)3;1-4(2)5(6)7-3/h2,4-7H2,1,3H3;1H2,2-3H3
InChIKeyVWLQWRPPKGGBSZ-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.27
Rot. Bonds5

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

(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate (PubChem CID 170853259) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is (3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
PubChem CID170853259
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCC1(CC)COC1
InChIInChI=1S/C10H16O3.C5H8O2/c1-4-10(5-12-6-10)7-13-9(11)8(2)3;1-4(2)5(6)7-3/h2,4-7H2,1,3H3;1H2,2-3H3
InChIKeyVWLQWRPPKGGBSZ-UHFFFAOYSA-N
XLogP2.27
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 18689
Neopentyl glycol dimethacrylate
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2-Propenoic acid, 2-methyl-, 1,1'-(1,3-propanediyl) ester
CID 70911
(3-Ethyloxetan-3-yl)methyl 2-methylprop-2-enoate
CID 11159706
2-Propenoic acid, 2-methyl-, 2,2-bis[(2-propen-1-yloxy)methyl]butyl ester
CID 88432
2-Ethyl-2-(hydroxymethyl)-1,3-propanediyl bismethacrylate
CID 88215
Butyl 2-methylprop-2-enoate--methyl 2-methylprop-2-enoate (1/1)
CID 62798
Butyl 2-methylprop-2-enoate;ethyl 2-methylprop-2-enoate
CID 22917869
2,2-Bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 88630598
2,2-Bis(hydroxymethyl)butyl methacrylate
CID 81491
2-Propenoic acid, 2-methyl-, 1,1'-[2-methyl-2-[[(2-methyl-1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester
CID 90585
2,2-Dimethylpentyl methacrylate
CID 106017

Frequently Asked Questions

What is the IUPAC name of (3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
The IUPAC name of (3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate (CID 170853259) is (3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate.
What is the SMILES notation for (3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
The canonical SMILES for (3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(C)C(=O)OCC1(CC)COC1.
What is the InChIKey of (3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
The InChIKey is VWLQWRPPKGGBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3.C5H8O2/c1-4-10(5-12-6-10)7-13-9(11)8(2)3;1-4(2)5(6)7-3/h2,4-7H2,1,3H3;1H2,2-3H3.
What are the key properties of (3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
(3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate has a molecular weight of 284.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyloxetan-3-yl)methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 170853259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).