boric acid;2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate

C6H13BO10 — CID 174992121

IUPACboric acid;2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate
SMILESO=C(O)OCCOCCOC(=O)O.OB(O)O
InChIInChI=1S/C6H10O7.BH3O3/c7-5(8)12-3-1-11-2-4-13-6(9)10;2-1(3)4/h1-4H2,(H,7,8)(H,9,10);2-4H
InChIKeyWWRUOWOSOSDLFJ-UHFFFAOYSA-N
MW255.97 g/mol
LogP-1.66
Rot. Bonds6

About boric acid;2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate

boric acid;2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate (PubChem CID 174992121) has the molecular formula C6H13BO10 and a molecular weight of 255.97 g/mol. Its IUPAC name is boric acid;2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate.

Molecular Properties

Compound Nameboric acid;2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate
PubChem CID174992121
Molecular FormulaC6H13BO10
Molecular Weight255.97 g/mol
Exact Mass256.06
IUPAC Nameboric acid;2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate
SMILESO=C(O)OCCOCCOC(=O)O.OB(O)O
InChIInChI=1S/C6H10O7.BH3O3/c7-5(8)12-3-1-11-2-4-13-6(9)10;2-1(3)4/h1-4H2,(H,7,8)(H,9,10);2-4H
InChIKeyWWRUOWOSOSDLFJ-UHFFFAOYSA-N
XLogP-1.66
TPSA162.98 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.97
LogP ≤ 5-1.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87539702
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87841701
2-(2-carboxyoxyethoxy)ethyl prop-2-enyl carbonate
CID 87661731
bis[2-[2-(2-carboxyoxyethoxycarbonyloxy)ethoxy]ethyl]-dimethylazanium chloride
CID 158209152
11-carboxyoxyundecyl hydrogen carbonate
CID 87454351
6-carboxyoxyhexyl hydrogen carbonate
CID 10420507
2-[2-[2-[2-(4-bromophenoxy)ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 153491025
carbonic acid;5-carboxyoxypentyl hydrogen carbonate
CID 87376927
2-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 175962657
2-[2,3-bis(4-hydroxybutoxy)propoxy]ethyl hydrogen carbonate
CID 164775709
carboxyoxy 2-(2-methoxyethoxy)ethyl carbonate
CID 118305942
2-carboxyoxyethyl butanoate
CID 140975603

Frequently Asked Questions

What is the IUPAC name of boric acid;2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate?
The IUPAC name of boric acid;2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate (CID 174992121) is boric acid;2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate.
What is the SMILES notation for boric acid;2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate?
The canonical SMILES for boric acid;2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate is O=C(O)OCCOCCOC(=O)O.OB(O)O.
What is the InChIKey of boric acid;2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate?
The InChIKey is WWRUOWOSOSDLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O7.BH3O3/c7-5(8)12-3-1-11-2-4-13-6(9)10;2-1(3)4/h1-4H2,(H,7,8)(H,9,10);2-4H.
What are the key properties of boric acid;2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate?
boric acid;2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate has a molecular weight of 255.97 g/mol, XLogP of -1.66, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;2-(2-carboxyoxyethoxy)ethyl hydrogen carbonate is sourced from PubChem (CID 174992121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).