[2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate

C19H24O6 — CID 20746570

IUPAC[2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate
SMILESC=CC(=O)OCC(CC)(COCOc1ccccc1)COC(=O)C=C
InChIInChI=1S/C19H24O6/c1-4-17(20)23-13-19(6-3,14-24-18(21)5-2)12-22-15-25-16-10-8-7-9-11-16/h4-5,7-11H,1-2,6,12-15H2,3H3
InChIKeyAJULQEURKPKBJK-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.89
Rot. Bonds12

About [2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate

[2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate (PubChem CID 20746570) has the molecular formula C19H24O6 and a molecular weight of 348.40 g/mol. Its IUPAC name is [2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate.

Molecular Properties

Compound Name[2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate
PubChem CID20746570
Molecular FormulaC19H24O6
Molecular Weight348.40 g/mol
Exact Mass348.16
IUPAC Name[2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate
SMILESC=CC(=O)OCC(CC)(COCOc1ccccc1)COC(=O)C=C
InChIInChI=1S/C19H24O6/c1-4-17(20)23-13-19(6-3,14-24-18(21)5-2)12-22-15-25-16-10-8-7-9-11-16/h4-5,7-11H,1-2,6,12-15H2,3H3
InChIKeyAJULQEURKPKBJK-UHFFFAOYSA-N
XLogP2.89
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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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Related Compounds

2,2-bis(2-methylpropanoyloxymethyl)butyl 2-methylpropanoate;2-(2-phenoxyethoxy)ethyl prop-2-enoate
CID 158351128
[2-(methoxymethyl)-2-(prop-2-enoyloxymethoxymethyl)butoxy]methyl prop-2-enoate
CID 129178860
2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;(1-hydroxycyclohexyl)-phenylmethanone
CID 162007679
(2,2-dihydroxy-3,6-diphenoxyhexyl) prop-2-enoate
CID 123943733
2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;hepta-2,5-dienediamide
CID 90247760
bis[2,2-bis(prop-2-enoyloxymethyl)butyl] (E)-hex-3-enedioate
CID 170682315
(2-methyl-2-phenylpropyl) prop-2-enoate
CID 141318899
2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate;methane;4-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 161238542
2,2-bis(prop-2-enoyloxymethyl)butyl but-3-enoate
CID 166944180
2,2-bis(prop-2-enoyloxymethyl)butyl 2,2-dimethyl-3-prop-2-enoyloxypropanoate
CID 90842874
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
2-[2-[2-[2-[2-[2-[2,2-bis[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 173016029

Frequently Asked Questions

What is the IUPAC name of [2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate?
The IUPAC name of [2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate (CID 20746570) is [2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate.
What is the SMILES notation for [2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate?
The canonical SMILES for [2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate is C=CC(=O)OCC(CC)(COCOc1ccccc1)COC(=O)C=C.
What is the InChIKey of [2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate?
The InChIKey is AJULQEURKPKBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O6/c1-4-17(20)23-13-19(6-3,14-24-18(21)5-2)12-22-15-25-16-10-8-7-9-11-16/h4-5,7-11H,1-2,6,12-15H2,3H3.
What are the key properties of [2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate?
[2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate has a molecular weight of 348.40 g/mol, XLogP of 2.89, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenoxymethoxymethyl)-2-(prop-2-enoyloxymethyl)butyl] prop-2-enoate is sourced from PubChem (CID 20746570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).