2-(2-prop-2-enoxyethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate

C12H22O6 — CID 58205656

IUPAC2-(2-prop-2-enoxyethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
SMILESC=CCOCCOCCOC(=O)C(C)(CO)CO
InChIInChI=1S/C12H22O6/c1-3-4-16-5-6-17-7-8-18-11(15)12(2,9-13)10-14/h3,13-14H,1,4-10H2,2H3
InChIKeySWMIGIXTVQIAPN-UHFFFAOYSA-N
MW262.30 g/mol
LogP-0.26
Rot. Bonds11

About 2-(2-prop-2-enoxyethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate

2-(2-prop-2-enoxyethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate (PubChem CID 58205656) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-(2-prop-2-enoxyethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate.

Molecular Properties

Compound Name2-(2-prop-2-enoxyethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
PubChem CID58205656
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Name2-(2-prop-2-enoxyethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
SMILESC=CCOCCOCCOC(=O)C(C)(CO)CO
InChIInChI=1S/C12H22O6/c1-3-4-16-5-6-17-7-8-18-11(15)12(2,9-13)10-14/h3,13-14H,1,4-10H2,2H3
InChIKeySWMIGIXTVQIAPN-UHFFFAOYSA-N
XLogP-0.26
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-prop-2-enoxyethyl 2,2-dimethylpropanoate
CID 89277080
[3-[3-[2-[2-[3-[2-[3-[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxy-2-[[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxyethoxy]-2,2-bis[2-[3-[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxy-2-[[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxyethoxymethyl]propoxy]ethoxy]ethoxy]-2-[[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-2-methyl-3-oxopropoxy]-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methyl-3-oxopropyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 71310496
2-(2-formamidoethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 177164366
2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate
CID 525183
2-(2-prop-2-enoxyethoxy)ethyl acetate
CID 525147
2-prop-2-enoxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate
CID 89235047
bis(2-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxyethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate);2-propanoyloxyethyl propanoate
CID 91127722
carbonic acid;3-(2-prop-2-enoxyethoxy)prop-1-ene
CID 88663194
2-[3-[2-[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxyethoxy]-2,2-bis[2-[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxyethoxymethyl]propoxy]ethyl 7-hydroxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-6-(hydroxymethyl)-2,6-dimethyl-5-oxoheptanoate
CID 90339409
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303
2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate
CID 18552285
tert-butyl 2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]acetate
CID 71514615

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enoxyethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate?
The IUPAC name of 2-(2-prop-2-enoxyethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate (CID 58205656) is 2-(2-prop-2-enoxyethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate.
What is the SMILES notation for 2-(2-prop-2-enoxyethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate?
The canonical SMILES for 2-(2-prop-2-enoxyethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate is C=CCOCCOCCOC(=O)C(C)(CO)CO.
What is the InChIKey of 2-(2-prop-2-enoxyethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate?
The InChIKey is SWMIGIXTVQIAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O6/c1-3-4-16-5-6-17-7-8-18-11(15)12(2,9-13)10-14/h3,13-14H,1,4-10H2,2H3.
What are the key properties of 2-(2-prop-2-enoxyethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate?
2-(2-prop-2-enoxyethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate has a molecular weight of 262.30 g/mol, XLogP of -0.26, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoxyethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate is sourced from PubChem (CID 58205656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).