1-[2-(2-methylprop-2-enoxymethyl)prop-2-enoyloxy]propyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate

C19H28O6 — CID 176655808

IUPAC1-[2-(2-methylprop-2-enoxymethyl)prop-2-enoyloxy]propyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate
SMILESC=C(C)COCC(=C)C(=O)OC(CC)OC(=O)C(=C)COCC(=C)C
InChIInChI=1S/C19H28O6/c1-8-17(24-18(20)15(6)11-22-9-13(2)3)25-19(21)16(7)12-23-10-14(4)5/h17H,2,4,6-12H2,1,3,5H3
InChIKeyYHLPSGXTXDNMIW-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.11
Rot. Bonds13

About 1-[2-(2-methylprop-2-enoxymethyl)prop-2-enoyloxy]propyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate

1-[2-(2-methylprop-2-enoxymethyl)prop-2-enoyloxy]propyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate (PubChem CID 176655808) has the molecular formula C19H28O6 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-[2-(2-methylprop-2-enoxymethyl)prop-2-enoyloxy]propyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate.

Molecular Properties

Compound Name1-[2-(2-methylprop-2-enoxymethyl)prop-2-enoyloxy]propyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate
PubChem CID176655808
Molecular FormulaC19H28O6
Molecular Weight352.43 g/mol
Exact Mass352.19
IUPAC Name1-[2-(2-methylprop-2-enoxymethyl)prop-2-enoyloxy]propyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate
SMILESC=C(C)COCC(=C)C(=O)OC(CC)OC(=O)C(=C)COCC(=C)C
InChIInChI=1S/C19H28O6/c1-8-17(24-18(20)15(6)11-22-9-13(2)3)25-19(21)16(7)12-23-10-14(4)5/h17H,2,4,6-12H2,1,3,5H3
InChIKeyYHLPSGXTXDNMIW-UHFFFAOYSA-N
XLogP3.11
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-(2-methylprop-2-enoxy)acetate
CID 15892945
1-phenoxyethyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate
CID 176718300
bis[1-(2-methylprop-2-enoyloxy)propyl] cyclohexane-1,2-dicarboxylate
CID 139823116
pentan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 134229849
1-(3-hydroxypropoxy)propyl 2-methylprop-2-enoate
CID 88728076
2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene
CID 10942706
1-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174689374
1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 134229847
6-[1-(2-methylprop-2-enoxy)propoxycarbonyl]cyclohex-3-ene-1-carboxylic acid
CID 101298122
2,2-dimethylpropyl 2-[2-(2,2-dimethylpropoxycarbonyl)prop-2-enoxymethyl]prop-2-enoate
CID 139630888
ethane-1,2-diol;2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene;bis(2-sulfanylacetic acid)
CID 174591214
1-acetyloxypropyl propanoate
CID 141272286

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylprop-2-enoxymethyl)prop-2-enoyloxy]propyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate?
The IUPAC name of 1-[2-(2-methylprop-2-enoxymethyl)prop-2-enoyloxy]propyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate (CID 176655808) is 1-[2-(2-methylprop-2-enoxymethyl)prop-2-enoyloxy]propyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate.
What is the SMILES notation for 1-[2-(2-methylprop-2-enoxymethyl)prop-2-enoyloxy]propyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate?
The canonical SMILES for 1-[2-(2-methylprop-2-enoxymethyl)prop-2-enoyloxy]propyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate is C=C(C)COCC(=C)C(=O)OC(CC)OC(=O)C(=C)COCC(=C)C.
What is the InChIKey of 1-[2-(2-methylprop-2-enoxymethyl)prop-2-enoyloxy]propyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate?
The InChIKey is YHLPSGXTXDNMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O6/c1-8-17(24-18(20)15(6)11-22-9-13(2)3)25-19(21)16(7)12-23-10-14(4)5/h17H,2,4,6-12H2,1,3,5H3.
What are the key properties of 1-[2-(2-methylprop-2-enoxymethyl)prop-2-enoyloxy]propyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate?
1-[2-(2-methylprop-2-enoxymethyl)prop-2-enoyloxy]propyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate has a molecular weight of 352.43 g/mol, XLogP of 3.11, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylprop-2-enoxymethyl)prop-2-enoyloxy]propyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate is sourced from PubChem (CID 176655808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).