methoxyethene;2-(methoxymethyl)-2-methyloxirane;3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane;2-(methoxymethyl)oxirane;3-methoxyprop-1-ene;bis(methyl 2-methylprop-2-enoate);2-methyloxirane;methyl prop-2-enoate;pent-1-en-3-one;2,2,3-trimethyloxirane

C51H92O17 — CID 158933263

IUPACmethoxyethene;2-(methoxymethyl)-2-methyloxirane;3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane;2-(methoxymethyl)oxirane;3-methoxyprop-1-ene;bis(methyl 2-methylprop-2-enoate);2-methyloxirane;methyl prop-2-enoate;pent-1-en-3-one;2,2,3-trimethyloxirane
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC.C=CC(=O)CC.C=CC(=O)OC.C=CCOC.C=COC.CC1CO1.CC1OC1(C)C.COCC1(C)CO1.COCC1CCC2OC2C1.COCC1CO1
InChIInChI=1S/C8H14O2.C5H10O2.2C5H8O2.C5H10O.C5H8O.C4H8O2.C4H6O2.C4H8O.2C3H6O/c1-9-5-6-2-3-7-8(4-6)10-7;1-5(3-6-2)4-7-5;2*1-4(2)5(6)7-3;1-4-5(2,3)6-4;1-3-5(6)4-2;1-5-2-4-3-6-4;1-3-4(5)6-2;1-3-4-5-2;1-3-2-4-3;1-3-4-2/h6-8H,2-5H2,1H3;3-4H2,1-2H3;2*1H2,2-3H3;4H,1-3H3;3H,1,4H2,2H3;4H,2-3H2,1H3;3H,1H2,2H3;3H,1,4H2,2H3;3H,2H2,1H3;3H,1H2,2H3
InChIKeyJJIHWGPZGKUPOB-UHFFFAOYSA-N
MW977.28 g/mol
LogP7.81
Rot. Bonds14

About methoxyethene;2-(methoxymethyl)-2-methyloxirane;3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane;2-(methoxymethyl)oxirane;3-methoxyprop-1-ene;bis(methyl 2-methylprop-2-enoate);2-methyloxirane;methyl prop-2-enoate;pent-1-en-3-one;2,2,3-trimethyloxirane

methoxyethene;2-(methoxymethyl)-2-methyloxirane;3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane;2-(methoxymethyl)oxirane;3-methoxyprop-1-ene;bis(methyl 2-methylprop-2-enoate);2-methyloxirane;methyl prop-2-enoate;pent-1-en-3-one;2,2,3-trimethyloxirane (PubChem CID 158933263) has the molecular formula C51H92O17 and a molecular weight of 977.28 g/mol. Its IUPAC name is methoxyethene;2-(methoxymethyl)-2-methyloxirane;3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane;2-(methoxymethyl)oxirane;3-methoxyprop-1-ene;bis(methyl 2-methylprop-2-enoate);2-methyloxirane;methyl prop-2-enoate;pent-1-en-3-one;2,2,3-trimethyloxirane.

Molecular Properties

Compound Namemethoxyethene;2-(methoxymethyl)-2-methyloxirane;3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane;2-(methoxymethyl)oxirane;3-methoxyprop-1-ene;bis(methyl 2-methylprop-2-enoate);2-methyloxirane;methyl prop-2-enoate;pent-1-en-3-one;2,2,3-trimethyloxirane
PubChem CID158933263
Molecular FormulaC51H92O17
Molecular Weight977.28 g/mol
Exact Mass976.63
IUPAC Namemethoxyethene;2-(methoxymethyl)-2-methyloxirane;3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane;2-(methoxymethyl)oxirane;3-methoxyprop-1-ene;bis(methyl 2-methylprop-2-enoate);2-methyloxirane;methyl prop-2-enoate;pent-1-en-3-one;2,2,3-trimethyloxirane
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC.C=CC(=O)CC.C=CC(=O)OC.C=CCOC.C=COC.CC1CO1.CC1OC1(C)C.COCC1(C)CO1.COCC1CCC2OC2C1.COCC1CO1
InChIInChI=1S/C8H14O2.C5H10O2.2C5H8O2.C5H10O.C5H8O.C4H8O2.C4H6O2.C4H8O.2C3H6O/c1-9-5-6-2-3-7-8(4-6)10-7;1-5(3-6-2)4-7-5;2*1-4(2)5(6)7-3;1-4-5(2,3)6-4;1-3-5(6)4-2;1-5-2-4-3-6-4;1-3-4(5)6-2;1-3-4-5-2;1-3-2-4-3;1-3-4-2/h6-8H,2-5H2,1H3;3-4H2,1-2H3;2*1H2,2-3H3;4H,1-3H3;3H,1,4H2,2H3;4H,2-3H2,1H3;3H,1H2,2H3;3H,1,4H2,2H3;3H,2H2,1H3;3H,1H2,2H3
InChIKeyJJIHWGPZGKUPOB-UHFFFAOYSA-N
XLogP7.81
TPSA204.77 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500977.28
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze methoxyethene;2-(methoxymethyl)-2-methyloxirane;3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane;2-(methoxymethyl)oxirane;3-methoxyprop-1-ene;bis(methyl 2-methylprop-2-enoate);2-methyloxirane;methyl prop-2-enoate;pent-1-en-3-one;2,2,3-trimethyloxirane with MolForge

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Related Compounds

3-ethyloxetane;2-ethyloxirane;methane;methoxyethene;methoxymethylcyclopropane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;prop-1-ene
CID 158143496
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159462145
methoxyethene;(E)-1-methoxyprop-1-ene;methyl 2-methylprop-2-enoate;2-methyloxirane;methyl prop-2-enoate;methyl 2-(trifluoromethyl)prop-2-enoate;2,2,3-trimethyloxirane
CID 158651863
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl prop-2-enoate
CID 160642606
(3-ethyloxetan-3-yl)methyl 2,2-dimethylbutanoate;2-(2-methylprop-2-enoyloxy)ethyl 2,2-dimethylbutanoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2,2-dimethylbutanoate;2-prop-2-enoyloxyethyl 2,2-dimethylbutanoate
CID 165000927
1-chloro-1-methoxyethene;methoxyethene;2-(methoxymethyl)oxirane;2-methoxyprop-1-ene;3-methoxyprop-1-yne;methyl but-3-ynoate;methyl 2-chloroprop-2-enoate;methyl 2-cyclopropylacetate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 158627920
2-(4-butan-2-yloxybutoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(4-butan-2-yloxybutoxycarbonylamino)ethyl prop-2-enoate;2-(2-butan-2-yloxyethoxycarbonylamino)propyl prop-2-enoate;3-(2-butan-2-yloxyethoxymethyl)-7-oxabicyclo[4.1.0]heptane;2-(2-butan-2-yloxyethoxymethyl)oxirane;2-(butan-2-yloxymethyl)-2,3-dimethyloxirane;3-(butan-2-yloxymethyl)-1-methyl-7-oxabicyclo[4.1.0]heptane;2-(butan-2-yloxymethyl)-2-methyloxirane;3-(butan-2-yloxymethyl)-7-oxabicyclo[4.1.0]heptane;2-(butan-2-yloxymethyl)oxirane;2-(2-ethenoxyethoxycarbonylamino)ethyl 2-methylbutanoate;methane;2-(4-prop-2-enoyloxybutanoylamino)ethyl 2-methylbutanoate
CID 160527237
1,1-dichloroethene;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl prop-2-enoate
CID 157375556
methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate
CID 87428070
methyl 2-(oxiran-2-ylmethyl)prop-2-enoate;methyl prop-2-enoate
CID 174793622
oxiran-2-ylmethyl 2-methylprop-2-enoate;(1-propylcyclopropyl) prop-2-enoate
CID 87085924
2-[(1-ethenylcyclopropyl)oxymethyl]oxirane;methyl 2-methylprop-2-enoate
CID 88834944

Frequently Asked Questions

What is the IUPAC name of methoxyethene;2-(methoxymethyl)-2-methyloxirane;3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane;2-(methoxymethyl)oxirane;3-methoxyprop-1-ene;bis(methyl 2-methylprop-2-enoate);2-methyloxirane;methyl prop-2-enoate;pent-1-en-3-one;2,2,3-trimethyloxirane?
The IUPAC name of methoxyethene;2-(methoxymethyl)-2-methyloxirane;3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane;2-(methoxymethyl)oxirane;3-methoxyprop-1-ene;bis(methyl 2-methylprop-2-enoate);2-methyloxirane;methyl prop-2-enoate;pent-1-en-3-one;2,2,3-trimethyloxirane (CID 158933263) is methoxyethene;2-(methoxymethyl)-2-methyloxirane;3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane;2-(methoxymethyl)oxirane;3-methoxyprop-1-ene;bis(methyl 2-methylprop-2-enoate);2-methyloxirane;methyl prop-2-enoate;pent-1-en-3-one;2,2,3-trimethyloxirane.
What is the SMILES notation for methoxyethene;2-(methoxymethyl)-2-methyloxirane;3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane;2-(methoxymethyl)oxirane;3-methoxyprop-1-ene;bis(methyl 2-methylprop-2-enoate);2-methyloxirane;methyl prop-2-enoate;pent-1-en-3-one;2,2,3-trimethyloxirane?
The canonical SMILES for methoxyethene;2-(methoxymethyl)-2-methyloxirane;3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane;2-(methoxymethyl)oxirane;3-methoxyprop-1-ene;bis(methyl 2-methylprop-2-enoate);2-methyloxirane;methyl prop-2-enoate;pent-1-en-3-one;2,2,3-trimethyloxirane is C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=CC(=O)CC.C=CC(=O)OC.C=CCOC.C=COC.CC1CO1.CC1OC1(C)C.COCC1(C)CO1.COCC1CCC2OC2C1.COCC1CO1.
What is the InChIKey of methoxyethene;2-(methoxymethyl)-2-methyloxirane;3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane;2-(methoxymethyl)oxirane;3-methoxyprop-1-ene;bis(methyl 2-methylprop-2-enoate);2-methyloxirane;methyl prop-2-enoate;pent-1-en-3-one;2,2,3-trimethyloxirane?
The InChIKey is JJIHWGPZGKUPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.C5H10O2.2C5H8O2.C5H10O.C5H8O.C4H8O2.C4H6O2.C4H8O.2C3H6O/c1-9-5-6-2-3-7-8(4-6)10-7;1-5(3-6-2)4-7-5;2*1-4(2)5(6)7-3;1-4-5(2,3)6-4;1-3-5(6)4-2;1-5-2-4-3-6-4;1-3-4(5)6-2;1-3-4-5-2;1-3-2-4-3;1-3-4-2/h6-8H,2-5H2,1H3;3-4H2,1-2H3;2*1H2,2-3H3;4H,1-3H3;3H,1,4H2,2H3;4H,2-3H2,1H3;3H,1H2,2H3;3H,1,4H2,2H3;3H,2H2,1H3;3H,1H2,2H3.
What are the key properties of methoxyethene;2-(methoxymethyl)-2-methyloxirane;3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane;2-(methoxymethyl)oxirane;3-methoxyprop-1-ene;bis(methyl 2-methylprop-2-enoate);2-methyloxirane;methyl prop-2-enoate;pent-1-en-3-one;2,2,3-trimethyloxirane?
methoxyethene;2-(methoxymethyl)-2-methyloxirane;3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane;2-(methoxymethyl)oxirane;3-methoxyprop-1-ene;bis(methyl 2-methylprop-2-enoate);2-methyloxirane;methyl prop-2-enoate;pent-1-en-3-one;2,2,3-trimethyloxirane has a molecular weight of 977.28 g/mol, XLogP of 7.81, 14 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethene;2-(methoxymethyl)-2-methyloxirane;3-(methoxymethyl)-7-oxabicyclo[4.1.0]heptane;2-(methoxymethyl)oxirane;3-methoxyprop-1-ene;bis(methyl 2-methylprop-2-enoate);2-methyloxirane;methyl prop-2-enoate;pent-1-en-3-one;2,2,3-trimethyloxirane is sourced from PubChem (CID 158933263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).