[3-[2-[2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]ethoxy]ethoxy]-3-oxopropyl] 2-methylprop-2-enoate

C18H26O9 — CID 19003762

IUPAC[3-[2-[2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]ethoxy]ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)OCCOCCOC(=O)CCOC(=O)C(=C)C
InChIInChI=1S/C18H26O9/c1-13(2)17(21)26-7-5-15(19)24-11-9-23-10-12-25-16(20)6-8-27-18(22)14(3)4/h1,3,5-12H2,2,4H3
InChIKeyCALKDYMSBARFRT-UHFFFAOYSA-N
MW386.40 g/mol
LogP1.11
Rot. Bonds14

About [3-[2-[2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]ethoxy]ethoxy]-3-oxopropyl] 2-methylprop-2-enoate

[3-[2-[2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]ethoxy]ethoxy]-3-oxopropyl] 2-methylprop-2-enoate (PubChem CID 19003762) has the molecular formula C18H26O9 and a molecular weight of 386.40 g/mol. Its IUPAC name is [3-[2-[2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]ethoxy]ethoxy]-3-oxopropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[2-[2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]ethoxy]ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
PubChem CID19003762
Molecular FormulaC18H26O9
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name[3-[2-[2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]ethoxy]ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)OCCOCCOC(=O)CCOC(=O)C(=C)C
InChIInChI=1S/C18H26O9/c1-13(2)17(21)26-7-5-15(19)24-11-9-23-10-12-25-16(20)6-8-27-18(22)14(3)4/h1,3,5-12H2,2,4H3
InChIKeyCALKDYMSBARFRT-UHFFFAOYSA-N
XLogP1.11
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.11
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

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CID 7355
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2-(2-Butoxyethoxy)ethyl methacrylate
CID 81768
Glycerol trimethacrylate
CID 81892
2-Propenoic acid, 2-methyl-, 2-[2-(2-methoxyethoxy)ethoxy]ethyl ester
CID 90523
2-Propenoic acid, 2-methyl-, 2-(2-(2-ethoxyethoxy)ethoxy)ethyl ester
CID 162388
2-Propenoic acid, 2-methyl-, 1,1'-(1,3-propanediyl) ester
CID 70911
Pentaerythritol tetramethacrylate
CID 76740
Ethoxy(diethylene glycol) methacrylate
CID 3016439

Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]ethoxy]ethoxy]-3-oxopropyl] 2-methylprop-2-enoate?
The IUPAC name of [3-[2-[2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]ethoxy]ethoxy]-3-oxopropyl] 2-methylprop-2-enoate (CID 19003762) is [3-[2-[2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]ethoxy]ethoxy]-3-oxopropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-[2-[2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]ethoxy]ethoxy]-3-oxopropyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-[2-[2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]ethoxy]ethoxy]-3-oxopropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(=O)OCCOCCOC(=O)CCOC(=O)C(=C)C.
What is the InChIKey of [3-[2-[2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]ethoxy]ethoxy]-3-oxopropyl] 2-methylprop-2-enoate?
The InChIKey is CALKDYMSBARFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O9/c1-13(2)17(21)26-7-5-15(19)24-11-9-23-10-12-25-16(20)6-8-27-18(22)14(3)4/h1,3,5-12H2,2,4H3.
What are the key properties of [3-[2-[2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]ethoxy]ethoxy]-3-oxopropyl] 2-methylprop-2-enoate?
[3-[2-[2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]ethoxy]ethoxy]-3-oxopropyl] 2-methylprop-2-enoate has a molecular weight of 386.40 g/mol, XLogP of 1.11, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]ethoxy]ethoxy]-3-oxopropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 19003762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).