2-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]peroxyethyl prop-2-enoate

C10H18O7 — CID 91411102

IUPAC2-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]peroxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOOCC(CO)(CO)CO
InChIInChI=1S/C10H18O7/c1-2-9(14)15-3-4-16-17-8-10(5-11,6-12)7-13/h2,11-13H,1,3-8H2
InChIKeyLMOBAQBECCSCMX-UHFFFAOYSA-N
MW250.25 g/mol
LogP-1.37
Rot. Bonds10

About 2-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]peroxyethyl prop-2-enoate

2-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]peroxyethyl prop-2-enoate (PubChem CID 91411102) has the molecular formula C10H18O7 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]peroxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]peroxyethyl prop-2-enoate
PubChem CID91411102
Molecular FormulaC10H18O7
Molecular Weight250.25 g/mol
Exact Mass250.11
IUPAC Name2-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]peroxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOOCC(CO)(CO)CO
InChIInChI=1S/C10H18O7/c1-2-9(14)15-3-4-16-17-8-10(5-11,6-12)7-13/h2,11-13H,1,3-8H2
InChIKeyLMOBAQBECCSCMX-UHFFFAOYSA-N
XLogP-1.37
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-[2-(2-buta-1,3-dien-2-yloxyethoxymethyl)-2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 118259029
2-[3-(2-prop-2-enoyloxyethoxy)-2-[[3-(2-prop-2-enoyloxyethoxy)-2,2-bis(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate
CID 59702805
[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-(2-hydroxyethoxymethyl)-3-(2-prop-2-enoyloxyethoxy)-2-[[3-(2-prop-2-enoyloxyethoxy)-2,2-bis(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]propoxy]ethyl prop-2-enoate;bis(2-[3-(2-prop-2-enoyloxyethoxy)-2-[[3-(2-prop-2-enoyloxyethoxy)-2,2-bis(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate)
CID 159661893
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2,2-bis(hydroxymethyl)propane-1,3-diol;pentyl prop-2-enoate
CID 160979540
2-[2,2-bis(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate;2-[2-(2-hydroxyethoxymethyl)-2-(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl prop-2-enoate
CID 158223909
2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;heptakis(prop-2-enoic acid)
CID 175143694
ethane-1,2-diamine;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 131736476
2-(3-hydroxypropoxy)ethyl prop-2-enoate
CID 59345604
2-[2,2-bis(2-propanoyloxyethoxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl propanoate
CID 89084261

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]peroxyethyl prop-2-enoate?
The IUPAC name of 2-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]peroxyethyl prop-2-enoate (CID 91411102) is 2-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]peroxyethyl prop-2-enoate.
What is the SMILES notation for 2-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]peroxyethyl prop-2-enoate?
The canonical SMILES for 2-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]peroxyethyl prop-2-enoate is C=CC(=O)OCCOOCC(CO)(CO)CO.
What is the InChIKey of 2-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]peroxyethyl prop-2-enoate?
The InChIKey is LMOBAQBECCSCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O7/c1-2-9(14)15-3-4-16-17-8-10(5-11,6-12)7-13/h2,11-13H,1,3-8H2.
What are the key properties of 2-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]peroxyethyl prop-2-enoate?
2-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]peroxyethyl prop-2-enoate has a molecular weight of 250.25 g/mol, XLogP of -1.37, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]peroxyethyl prop-2-enoate is sourced from PubChem (CID 91411102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).