2-(2-hydroxyethoxy)ethoxycarbonyl formate

C6H10O6 — CID 57170393

IUPAC2-(2-hydroxyethoxy)ethoxycarbonyl formate
SMILESO=COC(=O)OCCOCCO
InChIInChI=1S/C6H10O6/c7-1-2-10-3-4-11-6(9)12-5-8/h5,7H,1-4H2
InChIKeyQTQYBUUGWLJPJE-UHFFFAOYSA-N
MW178.14 g/mol
LogP-0.70
Rot. Bonds6

About 2-(2-hydroxyethoxy)ethoxycarbonyl formate

2-(2-hydroxyethoxy)ethoxycarbonyl formate (PubChem CID 57170393) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethoxycarbonyl formate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethoxycarbonyl formate
PubChem CID57170393
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name2-(2-hydroxyethoxy)ethoxycarbonyl formate
SMILESO=COC(=O)OCCOCCO
InChIInChI=1S/C6H10O6/c7-1-2-10-3-4-11-6(9)12-5-8/h5,7H,1-4H2
InChIKeyQTQYBUUGWLJPJE-UHFFFAOYSA-N
XLogP-0.70
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-hydroxyethoxy)ethoxy]ethyl prop-2-enyl carbonate
CID 91326710
chloromethyl 2-(2-hydroxyethoxy)ethyl carbonate
CID 170335305
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 formate
CID 23448310
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
bis(prop-2-enyl) carbonate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 22918048
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
2-(2-hydroxyethoxy)ethyl 3-formyloxy-2-(formyloxymethyl)-2-hydroxypropanoate
CID 126492957
bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate
CID 175191375

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethoxycarbonyl formate?
The IUPAC name of 2-(2-hydroxyethoxy)ethoxycarbonyl formate (CID 57170393) is 2-(2-hydroxyethoxy)ethoxycarbonyl formate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethoxycarbonyl formate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethoxycarbonyl formate is O=COC(=O)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethoxycarbonyl formate?
The InChIKey is QTQYBUUGWLJPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6/c7-1-2-10-3-4-11-6(9)12-5-8/h5,7H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxy)ethoxycarbonyl formate?
2-(2-hydroxyethoxy)ethoxycarbonyl formate has a molecular weight of 178.14 g/mol, XLogP of -0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethoxycarbonyl formate is sourced from PubChem (CID 57170393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).