2-[2-[2-(2-prop-2-enoyloxypropanoyloxy)ethoxy]ethoxy]ethyl 2-prop-2-enoyloxypropanoate

C18H26O10 — CID 59381337

IUPAC2-[2-[2-(2-prop-2-enoyloxypropanoyloxy)ethoxy]ethoxy]ethyl 2-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OC(C)C(=O)OCCOCCOCCOC(=O)C(C)OC(=O)C=C
InChIInChI=1S/C18H26O10/c1-5-15(19)27-13(3)17(21)25-11-9-23-7-8-24-10-12-26-18(22)14(4)28-16(20)6-2/h5-6,13-14H,1-2,7-12H2,3-4H3
InChIKeyJQENGKDZFDVVIM-UHFFFAOYSA-N
MW402.40 g/mol
LogP0.34
Rot. Bonds15

About 2-[2-[2-(2-prop-2-enoyloxypropanoyloxy)ethoxy]ethoxy]ethyl 2-prop-2-enoyloxypropanoate

2-[2-[2-(2-prop-2-enoyloxypropanoyloxy)ethoxy]ethoxy]ethyl 2-prop-2-enoyloxypropanoate (PubChem CID 59381337) has the molecular formula C18H26O10 and a molecular weight of 402.40 g/mol. Its IUPAC name is 2-[2-[2-(2-prop-2-enoyloxypropanoyloxy)ethoxy]ethoxy]ethyl 2-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Name2-[2-[2-(2-prop-2-enoyloxypropanoyloxy)ethoxy]ethoxy]ethyl 2-prop-2-enoyloxypropanoate
PubChem CID59381337
Molecular FormulaC18H26O10
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC Name2-[2-[2-(2-prop-2-enoyloxypropanoyloxy)ethoxy]ethoxy]ethyl 2-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OC(C)C(=O)OCCOCCOCCOC(=O)C(C)OC(=O)C=C
InChIInChI=1S/C18H26O10/c1-5-15(19)27-13(3)17(21)25-11-9-23-7-8-24-10-12-26-18(22)14(4)28-16(20)6-2/h5-6,13-14H,1-2,7-12H2,3-4H3
InChIKeyJQENGKDZFDVVIM-UHFFFAOYSA-N
XLogP0.34
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

Tripropylene glycol diacrylate
CID 4128060
Tripropyleneglycol diacrylate
CID 93414
Dipropylene glycol diacrylate
CID 3034434
Ethoxylated glycerol triacrylate
CID 11567206
Ebecryl 53
CID 93276
cis-But-2-enedioic acid bis-(1-ethoxycarbonyl-ethyl) ester
CID 5385493
[(Propane-1,2,3-triyl)tris(oxy)propane-1,2-diyl] triprop-2-enoate
CID 57356616
Bis(4-prop-2-enoyloxybutyl) oxalate
CID 89986347
1,2'-Oxydipropanol diacrylate
CID 9942853
Maleic acid bis[1-(butyloxycarbonyl)-ethyl] ester
CID 5385497
Maleic acid 1-butoxycarbonyl-ethyl ester butyl ester
CID 54598924
methyl (2S)-2-prop-2-enoyloxypropanoate
CID 10964778

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-prop-2-enoyloxypropanoyloxy)ethoxy]ethoxy]ethyl 2-prop-2-enoyloxypropanoate?
The IUPAC name of 2-[2-[2-(2-prop-2-enoyloxypropanoyloxy)ethoxy]ethoxy]ethyl 2-prop-2-enoyloxypropanoate (CID 59381337) is 2-[2-[2-(2-prop-2-enoyloxypropanoyloxy)ethoxy]ethoxy]ethyl 2-prop-2-enoyloxypropanoate.
What is the SMILES notation for 2-[2-[2-(2-prop-2-enoyloxypropanoyloxy)ethoxy]ethoxy]ethyl 2-prop-2-enoyloxypropanoate?
The canonical SMILES for 2-[2-[2-(2-prop-2-enoyloxypropanoyloxy)ethoxy]ethoxy]ethyl 2-prop-2-enoyloxypropanoate is C=CC(=O)OC(C)C(=O)OCCOCCOCCOC(=O)C(C)OC(=O)C=C.
What is the InChIKey of 2-[2-[2-(2-prop-2-enoyloxypropanoyloxy)ethoxy]ethoxy]ethyl 2-prop-2-enoyloxypropanoate?
The InChIKey is JQENGKDZFDVVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O10/c1-5-15(19)27-13(3)17(21)25-11-9-23-7-8-24-10-12-26-18(22)14(4)28-16(20)6-2/h5-6,13-14H,1-2,7-12H2,3-4H3.
What are the key properties of 2-[2-[2-(2-prop-2-enoyloxypropanoyloxy)ethoxy]ethoxy]ethyl 2-prop-2-enoyloxypropanoate?
2-[2-[2-(2-prop-2-enoyloxypropanoyloxy)ethoxy]ethoxy]ethyl 2-prop-2-enoyloxypropanoate has a molecular weight of 402.40 g/mol, XLogP of 0.34, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-prop-2-enoyloxypropanoyloxy)ethoxy]ethoxy]ethyl 2-prop-2-enoyloxypropanoate is sourced from PubChem (CID 59381337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).