[2-hydroxy-3-[2-[2-hydroxy-2-(2-hydroxyethoxy)propoxy]ethoxy]propyl] prop-2-enoate

C13H24O8 — CID 18346271

IUPAC[2-hydroxy-3-[2-[2-hydroxy-2-(2-hydroxyethoxy)propoxy]ethoxy]propyl] prop-2-enoate
SMILESC=CC(=O)OCC(O)COCCOCC(C)(O)OCCO
InChIInChI=1S/C13H24O8/c1-3-12(16)20-9-11(15)8-18-6-7-19-10-13(2,17)21-5-4-14/h3,11,14-15,17H,1,4-10H2,2H3
InChIKeySRALENMSPGRPRT-UHFFFAOYSA-N
MW308.33 g/mol
LogP-1.17
Rot. Bonds13

About [2-hydroxy-3-[2-[2-hydroxy-2-(2-hydroxyethoxy)propoxy]ethoxy]propyl] prop-2-enoate

[2-hydroxy-3-[2-[2-hydroxy-2-(2-hydroxyethoxy)propoxy]ethoxy]propyl] prop-2-enoate (PubChem CID 18346271) has the molecular formula C13H24O8 and a molecular weight of 308.33 g/mol. Its IUPAC name is [2-hydroxy-3-[2-[2-hydroxy-2-(2-hydroxyethoxy)propoxy]ethoxy]propyl] prop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-3-[2-[2-hydroxy-2-(2-hydroxyethoxy)propoxy]ethoxy]propyl] prop-2-enoate
PubChem CID18346271
Molecular FormulaC13H24O8
Molecular Weight308.33 g/mol
Exact Mass308.15
IUPAC Name[2-hydroxy-3-[2-[2-hydroxy-2-(2-hydroxyethoxy)propoxy]ethoxy]propyl] prop-2-enoate
SMILESC=CC(=O)OCC(O)COCCOCC(C)(O)OCCO
InChIInChI=1S/C13H24O8/c1-3-12(16)20-9-11(15)8-18-6-7-19-10-13(2,17)21-5-4-14/h3,11,14-15,17H,1,4-10H2,2H3
InChIKeySRALENMSPGRPRT-UHFFFAOYSA-N
XLogP-1.17
TPSA114.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane
CID 158073431
(2-hydroxy-3-prop-2-enoyloxypropyl) 2,2-dimethylpropanoate
CID 88553143
1-[2-(2-hydroxyethoxy)ethoxy]butan-2-ol;methyl prop-2-enoate
CID 158671182
[2-hydroxy-3-[4-(2-hydroxy-3-prop-2-enoyloxypropoxy)butoxy]propyl] propanoate
CID 123812223
[3-(2-cyanoethoxy)-2-hydroxypropyl] prop-2-enoate
CID 15685476
(2-hydroxy-3-prop-2-enoyloxypropyl) 2-tert-butyl-2,3,3-trimethylbutanoate
CID 123574852
ethanol;2-hydroxyethyl 2-methylprop-2-enoate;(2-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate
CID 174939081
[2-hydroxy-3-(4-prop-2-enoyloxybutoxy)propyl] 3-(3-hex-5-enoxy-2-hydroxypropoxy)-2,2-dimethylpropanoate
CID 146525602
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
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
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-hydroxy-3-[3-[methoxy(dimethyl)silyl]propoxy]propyl] prop-2-enoate;methane
CID 158252465

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[2-[2-hydroxy-2-(2-hydroxyethoxy)propoxy]ethoxy]propyl] prop-2-enoate?
The IUPAC name of [2-hydroxy-3-[2-[2-hydroxy-2-(2-hydroxyethoxy)propoxy]ethoxy]propyl] prop-2-enoate (CID 18346271) is [2-hydroxy-3-[2-[2-hydroxy-2-(2-hydroxyethoxy)propoxy]ethoxy]propyl] prop-2-enoate.
What is the SMILES notation for [2-hydroxy-3-[2-[2-hydroxy-2-(2-hydroxyethoxy)propoxy]ethoxy]propyl] prop-2-enoate?
The canonical SMILES for [2-hydroxy-3-[2-[2-hydroxy-2-(2-hydroxyethoxy)propoxy]ethoxy]propyl] prop-2-enoate is C=CC(=O)OCC(O)COCCOCC(C)(O)OCCO.
What is the InChIKey of [2-hydroxy-3-[2-[2-hydroxy-2-(2-hydroxyethoxy)propoxy]ethoxy]propyl] prop-2-enoate?
The InChIKey is SRALENMSPGRPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O8/c1-3-12(16)20-9-11(15)8-18-6-7-19-10-13(2,17)21-5-4-14/h3,11,14-15,17H,1,4-10H2,2H3.
What are the key properties of [2-hydroxy-3-[2-[2-hydroxy-2-(2-hydroxyethoxy)propoxy]ethoxy]propyl] prop-2-enoate?
[2-hydroxy-3-[2-[2-hydroxy-2-(2-hydroxyethoxy)propoxy]ethoxy]propyl] prop-2-enoate has a molecular weight of 308.33 g/mol, XLogP of -1.17, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[2-[2-hydroxy-2-(2-hydroxyethoxy)propoxy]ethoxy]propyl] prop-2-enoate is sourced from PubChem (CID 18346271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).