2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]ethyl 2-methylprop-2-enoate

C23H38O9 — CID 91261789

IUPAC2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCC(C)OC.C=C(C)C(=O)OCCOCC(C)OC(=O)C(=C)C
InChIInChI=1S/C13H20O5.C10H18O4/c1-9(2)12(14)17-7-6-16-8-11(5)18-13(15)10(3)4;1-8(2)10(11)14-6-5-13-7-9(3)12-4/h11H,1,3,6-8H2,2,4-5H3;9H,1,5-7H2,2-4H3
InChIKeyRRAYVVJTNVJXQZ-UHFFFAOYSA-N
MW458.55 g/mol
LogP2.79
Rot. Bonds15

About 2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]ethyl 2-methylprop-2-enoate

2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]ethyl 2-methylprop-2-enoate (PubChem CID 91261789) has the molecular formula C23H38O9 and a molecular weight of 458.55 g/mol. Its IUPAC name is 2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]ethyl 2-methylprop-2-enoate
PubChem CID91261789
Molecular FormulaC23H38O9
Molecular Weight458.55 g/mol
Exact Mass458.25
IUPAC Name2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCC(C)OC.C=C(C)C(=O)OCCOCC(C)OC(=O)C(=C)C
InChIInChI=1S/C13H20O5.C10H18O4/c1-9(2)12(14)17-7-6-16-8-11(5)18-13(15)10(3)4;1-8(2)10(11)14-6-5-13-7-9(3)12-4/h11H,1,3,6-8H2,2,4-5H3;9H,1,5-7H2,2-4H3
InChIKeyRRAYVVJTNVJXQZ-UHFFFAOYSA-N
XLogP2.79
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate
CID 20625798
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate;bis(prop-1-ene)
CID 87981100
1-[1-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 56999639
1-[2-(2-methylprop-2-enoyloxy)propoxyperoxy]propan-2-yl 2-methylprop-2-enoate
CID 90187084
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 22918055
2-[[2-(2-methylprop-2-enoyloxy)propoxycarbonylamino]methylcarbamoyloxy]ethyl 2-methylprop-2-enoate
CID 54028946
2-[2-[2-[3-[2,3-bis[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]propoxy]-2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 123639190
2-[3-methyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]butoxy]ethyl 2-methylprop-2-enoate
CID 87574395

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]ethyl 2-methylprop-2-enoate (CID 91261789) is 2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCC(C)OC.C=C(C)C(=O)OCCOCC(C)OC(=O)C(=C)C.
What is the InChIKey of 2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is RRAYVVJTNVJXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O5.C10H18O4/c1-9(2)12(14)17-7-6-16-8-11(5)18-13(15)10(3)4;1-8(2)10(11)14-6-5-13-7-9(3)12-4/h11H,1,3,6-8H2,2,4-5H3;9H,1,5-7H2,2-4H3.
What are the key properties of 2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]ethyl 2-methylprop-2-enoate?
2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 458.55 g/mol, XLogP of 2.79, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropoxy)ethyl 2-methylprop-2-enoate;2-[2-(2-methylprop-2-enoyloxy)propoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 91261789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).