[2-(methoxymethoxy)-2-oxoethyl] 2-methylprop-2-enoate;methoxymethyl 2-methylprop-2-enoate;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;tris(4-oxatricyclo[4.3.1.13,8]undecan-5-one)

C51H74O18 — CID 159667781

IUPAC[2-(methoxymethoxy)-2-oxoethyl] 2-methylprop-2-enoate;methoxymethyl 2-methylprop-2-enoate;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;tris(4-oxatricyclo[4.3.1.13,8]undecan-5-one)
SMILESC=C(C)C(=O)OCC(=O)OC.C=C(C)C(=O)OCC(=O)OCOC.C=C(C)C(=O)OCOC.O=C1OC2CC3CC(C2)CC1C3.O=C1OC2CC3CC(C2)CC1C3.O=C1OC2CC3CC(C2)CC1C3
InChIInChI=1S/3C10H14O2.C8H12O5.C7H10O4.C6H10O3/c3*11-10-8-2-6-1-7(3-8)5-9(4-6)12-10;1-6(2)8(10)12-4-7(9)13-5-11-3;1-5(2)7(9)11-4-6(8)10-3;1-5(2)6(7)9-4-8-3/h3*6-9H,1-5H2;1,4-5H2,2-3H3;1,4H2,2-3H3;1,4H2,2-3H3
InChIKeyMTQBTEUHWNZXTB-UHFFFAOYSA-N
MW975.13 g/mol
LogP6.46
Rot. Bonds11

About [2-(methoxymethoxy)-2-oxoethyl] 2-methylprop-2-enoate;methoxymethyl 2-methylprop-2-enoate;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;tris(4-oxatricyclo[4.3.1.13,8]undecan-5-one)

[2-(methoxymethoxy)-2-oxoethyl] 2-methylprop-2-enoate;methoxymethyl 2-methylprop-2-enoate;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;tris(4-oxatricyclo[4.3.1.13,8]undecan-5-one) (PubChem CID 159667781) has the molecular formula C51H74O18 and a molecular weight of 975.13 g/mol. Its IUPAC name is [2-(methoxymethoxy)-2-oxoethyl] 2-methylprop-2-enoate;methoxymethyl 2-methylprop-2-enoate;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;tris(4-oxatricyclo[4.3.1.13,8]undecan-5-one).

Molecular Properties

Compound Name[2-(methoxymethoxy)-2-oxoethyl] 2-methylprop-2-enoate;methoxymethyl 2-methylprop-2-enoate;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;tris(4-oxatricyclo[4.3.1.13,8]undecan-5-one)
PubChem CID159667781
Molecular FormulaC51H74O18
Molecular Weight975.13 g/mol
Exact Mass974.49
IUPAC Name[2-(methoxymethoxy)-2-oxoethyl] 2-methylprop-2-enoate;methoxymethyl 2-methylprop-2-enoate;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;tris(4-oxatricyclo[4.3.1.13,8]undecan-5-one)
SMILESC=C(C)C(=O)OCC(=O)OC.C=C(C)C(=O)OCC(=O)OCOC.C=C(C)C(=O)OCOC.O=C1OC2CC3CC(C2)CC1C3.O=C1OC2CC3CC(C2)CC1C3.O=C1OC2CC3CC(C2)CC1C3
InChIInChI=1S/3C10H14O2.C8H12O5.C7H10O4.C6H10O3/c3*11-10-8-2-6-1-7(3-8)5-9(4-6)12-10;1-6(2)8(10)12-4-7(9)13-5-11-3;1-5(2)7(9)11-4-6(8)10-3;1-5(2)6(7)9-4-8-3/h3*6-9H,1-5H2;1,4-5H2,2-3H3;1,4H2,2-3H3;1,4H2,2-3H3
InChIKeyMTQBTEUHWNZXTB-UHFFFAOYSA-N
XLogP6.46
TPSA228.86 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500975.13
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethoxy)-2-oxoethyl] 2-methylprop-2-enoate;methoxymethyl 2-methylprop-2-enoate;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;tris(4-oxatricyclo[4.3.1.13,8]undecan-5-one)?
The IUPAC name of [2-(methoxymethoxy)-2-oxoethyl] 2-methylprop-2-enoate;methoxymethyl 2-methylprop-2-enoate;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;tris(4-oxatricyclo[4.3.1.13,8]undecan-5-one) (CID 159667781) is [2-(methoxymethoxy)-2-oxoethyl] 2-methylprop-2-enoate;methoxymethyl 2-methylprop-2-enoate;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;tris(4-oxatricyclo[4.3.1.13,8]undecan-5-one).
What is the SMILES notation for [2-(methoxymethoxy)-2-oxoethyl] 2-methylprop-2-enoate;methoxymethyl 2-methylprop-2-enoate;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;tris(4-oxatricyclo[4.3.1.13,8]undecan-5-one)?
The canonical SMILES for [2-(methoxymethoxy)-2-oxoethyl] 2-methylprop-2-enoate;methoxymethyl 2-methylprop-2-enoate;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;tris(4-oxatricyclo[4.3.1.13,8]undecan-5-one) is C=C(C)C(=O)OCC(=O)OC.C=C(C)C(=O)OCC(=O)OCOC.C=C(C)C(=O)OCOC.O=C1OC2CC3CC(C2)CC1C3.O=C1OC2CC3CC(C2)CC1C3.O=C1OC2CC3CC(C2)CC1C3.
What is the InChIKey of [2-(methoxymethoxy)-2-oxoethyl] 2-methylprop-2-enoate;methoxymethyl 2-methylprop-2-enoate;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;tris(4-oxatricyclo[4.3.1.13,8]undecan-5-one)?
The InChIKey is MTQBTEUHWNZXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H14O2.C8H12O5.C7H10O4.C6H10O3/c3*11-10-8-2-6-1-7(3-8)5-9(4-6)12-10;1-6(2)8(10)12-4-7(9)13-5-11-3;1-5(2)7(9)11-4-6(8)10-3;1-5(2)6(7)9-4-8-3/h3*6-9H,1-5H2;1,4-5H2,2-3H3;1,4H2,2-3H3;1,4H2,2-3H3.
What are the key properties of [2-(methoxymethoxy)-2-oxoethyl] 2-methylprop-2-enoate;methoxymethyl 2-methylprop-2-enoate;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;tris(4-oxatricyclo[4.3.1.13,8]undecan-5-one)?
[2-(methoxymethoxy)-2-oxoethyl] 2-methylprop-2-enoate;methoxymethyl 2-methylprop-2-enoate;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;tris(4-oxatricyclo[4.3.1.13,8]undecan-5-one) has a molecular weight of 975.13 g/mol, XLogP of 6.46, 11 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethoxy)-2-oxoethyl] 2-methylprop-2-enoate;methoxymethyl 2-methylprop-2-enoate;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;tris(4-oxatricyclo[4.3.1.13,8]undecan-5-one) is sourced from PubChem (CID 159667781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).