[2-[[2-(methoxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate

C22H30O10 — CID 146342682

IUPAC[2-[[2-(methoxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate
SMILESC=CC(=O)OCC(COCC(COC)(COC(=O)C=C)COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C22H30O10/c1-6-18(23)29-11-17(12-30-19(24)7-2)10-28-14-22(13-27-5,15-31-20(25)8-3)16-32-21(26)9-4/h6-9,17H,1-4,10-16H2,5H3
InChIKeyQSXCVHOWIWHNBX-UHFFFAOYSA-N
MW454.47 g/mol
LogP1.17
Rot. Bonds18

About [2-[[2-(methoxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate

[2-[[2-(methoxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate (PubChem CID 146342682) has the molecular formula C22H30O10 and a molecular weight of 454.47 g/mol. Its IUPAC name is [2-[[2-(methoxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate.

Molecular Properties

Compound Name[2-[[2-(methoxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate
PubChem CID146342682
Molecular FormulaC22H30O10
Molecular Weight454.47 g/mol
Exact Mass454.18
IUPAC Name[2-[[2-(methoxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate
SMILESC=CC(=O)OCC(COCC(COC)(COC(=O)C=C)COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C22H30O10/c1-6-18(23)29-11-17(12-30-19(24)7-2)10-28-14-22(13-27-5,15-31-20(25)8-3)16-32-21(26)9-4/h6-9,17H,1-4,10-16H2,5H3
InChIKeyQSXCVHOWIWHNBX-UHFFFAOYSA-N
XLogP1.17
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
[2,2-bis(prop-2-enoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 155625651
[2-(methoxymethyl)-2-(prop-2-enoyloxymethoxymethyl)butoxy]methyl prop-2-enoate
CID 129178860
ethane-1,2-diamine;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 131736476
[2-(formyloxymethyl)-3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]propyl] prop-2-enoate
CID 89368794
[2,2-bis(hydroxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 159645135
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
2,2-bis(prop-2-enoyloxymethyl)butoxymethyl 2-methylidene-4-(prop-2-enoyloxymethyl)hexanoate
CID 155665786
[2-[[[[dimethyl-[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 59031923
dimethyl 2,4-dimethylidene-3-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-3-(prop-2-enoyloxymethyl)pentanedioate
CID 90243979
[2-[2-[1-(2-methoxyethyl)pyrrolidin-1-ium-1-yl]ethoxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 162768230
[2-but-3-enyl-2-[[3-(ethenoxymethoxy)-2,2-bis(ethenoxymethoxymethyl)propoxy]methyl]hex-5-enyl] prop-2-enoate
CID 22894306

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(methoxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate?
The IUPAC name of [2-[[2-(methoxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate (CID 146342682) is [2-[[2-(methoxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate.
What is the SMILES notation for [2-[[2-(methoxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate?
The canonical SMILES for [2-[[2-(methoxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate is C=CC(=O)OCC(COCC(COC)(COC(=O)C=C)COC(=O)C=C)COC(=O)C=C.
What is the InChIKey of [2-[[2-(methoxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate?
The InChIKey is QSXCVHOWIWHNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O10/c1-6-18(23)29-11-17(12-30-19(24)7-2)10-28-14-22(13-27-5,15-31-20(25)8-3)16-32-21(26)9-4/h6-9,17H,1-4,10-16H2,5H3.
What are the key properties of [2-[[2-(methoxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate?
[2-[[2-(methoxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate has a molecular weight of 454.47 g/mol, XLogP of 1.17, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(methoxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate is sourced from PubChem (CID 146342682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).