2-(2-hydroxyethoxy)ethyl 3-formyloxy-2-(formyloxymethyl)-2-hydroxypropanoate

C10H16O9 — CID 126492957

IUPAC2-(2-hydroxyethoxy)ethyl 3-formyloxy-2-(formyloxymethyl)-2-hydroxypropanoate
SMILESO=COCC(O)(COC=O)C(=O)OCCOCCO
InChIInChI=1S/C10H16O9/c11-1-2-16-3-4-19-9(14)10(15,5-17-7-12)6-18-8-13/h7-8,11,15H,1-6H2
InChIKeyRYEMASJYYKRLRP-UHFFFAOYSA-N
MW280.23 g/mol
LogP-2.38
Rot. Bonds12

About 2-(2-hydroxyethoxy)ethyl 3-formyloxy-2-(formyloxymethyl)-2-hydroxypropanoate

2-(2-hydroxyethoxy)ethyl 3-formyloxy-2-(formyloxymethyl)-2-hydroxypropanoate (PubChem CID 126492957) has the molecular formula C10H16O9 and a molecular weight of 280.23 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 3-formyloxy-2-(formyloxymethyl)-2-hydroxypropanoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl 3-formyloxy-2-(formyloxymethyl)-2-hydroxypropanoate
PubChem CID126492957
Molecular FormulaC10H16O9
Molecular Weight280.23 g/mol
Exact Mass280.08
IUPAC Name2-(2-hydroxyethoxy)ethyl 3-formyloxy-2-(formyloxymethyl)-2-hydroxypropanoate
SMILESO=COCC(O)(COC=O)C(=O)OCCOCCO
InChIInChI=1S/C10H16O9/c11-1-2-16-3-4-19-9(14)10(15,5-17-7-12)6-18-8-13/h7-8,11,15H,1-6H2
InChIKeyRYEMASJYYKRLRP-UHFFFAOYSA-N
XLogP-2.38
TPSA128.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 5-2.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)ethyl formate
CID 23448310
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
CID 154107632
2-(2-hydroxyethoxy)ethoxycarbonyl formate
CID 57170393
2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate
CID 18552285
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate
CID 87256441
2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate
CID 89246504
2-hydroxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]pentanedioic acid
CID 162495800
2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate
CID 141407378
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
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
chloromethyl 2-(2-hydroxyethoxy)ethyl carbonate
CID 170335305

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl 3-formyloxy-2-(formyloxymethyl)-2-hydroxypropanoate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl 3-formyloxy-2-(formyloxymethyl)-2-hydroxypropanoate (CID 126492957) is 2-(2-hydroxyethoxy)ethyl 3-formyloxy-2-(formyloxymethyl)-2-hydroxypropanoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 3-formyloxy-2-(formyloxymethyl)-2-hydroxypropanoate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 3-formyloxy-2-(formyloxymethyl)-2-hydroxypropanoate is O=COCC(O)(COC=O)C(=O)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 3-formyloxy-2-(formyloxymethyl)-2-hydroxypropanoate?
The InChIKey is RYEMASJYYKRLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O9/c11-1-2-16-3-4-19-9(14)10(15,5-17-7-12)6-18-8-13/h7-8,11,15H,1-6H2.
What are the key properties of 2-(2-hydroxyethoxy)ethyl 3-formyloxy-2-(formyloxymethyl)-2-hydroxypropanoate?
2-(2-hydroxyethoxy)ethyl 3-formyloxy-2-(formyloxymethyl)-2-hydroxypropanoate has a molecular weight of 280.23 g/mol, XLogP of -2.38, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl 3-formyloxy-2-(formyloxymethyl)-2-hydroxypropanoate is sourced from PubChem (CID 126492957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).