triethyl borate;hydrate

C6H17BO4 — CID 141236748

IUPACtriethyl borate;hydrate
SMILESCCOB(OCC)OCC.O
InChIInChI=1S/C6H15BO3.H2O/c1-4-8-7(9-5-2)10-6-3;/h4-6H2,1-3H3;1H2
InChIKeyUJSCNYYYFSWUCV-UHFFFAOYSA-N
MW164.01 g/mol
LogP0.26
Rot. Bonds6

About triethyl borate;hydrate

triethyl borate;hydrate (PubChem CID 141236748) has the molecular formula C6H17BO4 and a molecular weight of 164.01 g/mol. Its IUPAC name is triethyl borate;hydrate.

Molecular Properties

Compound Nametriethyl borate;hydrate
PubChem CID141236748
Molecular FormulaC6H17BO4
Molecular Weight164.01 g/mol
Exact Mass164.12
IUPAC Nametriethyl borate;hydrate
SMILESCCOB(OCC)OCC.O
InChIInChI=1S/C6H15BO3.H2O/c1-4-8-7(9-5-2)10-6-3;/h4-6H2,1-3H3;1H2
InChIKeyUJSCNYYYFSWUCV-UHFFFAOYSA-N
XLogP0.26
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.01
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

triethyl borate;bis(trimethylsilane)
CID 175760851
ditert-butyl ethyl borate
CID 174586427
ethoxyethane;pentahydrate
CID 141041283
ethoxyethane;hydrate
CID 22594236
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
ethoxyethane;sulfane
CID 90240371
ethoxyethane;sulfane
CID 87243372
disodium;ethoxyethane
CID 23107014
tris(2-hexadecoxyethyl) borate
CID 20570243
cyanomethyl dipropyl borate
CID 151454429
trihexyl borate
CID 21423

Frequently Asked Questions

What is the IUPAC name of triethyl borate;hydrate?
The IUPAC name of triethyl borate;hydrate (CID 141236748) is triethyl borate;hydrate.
What is the SMILES notation for triethyl borate;hydrate?
The canonical SMILES for triethyl borate;hydrate is CCOB(OCC)OCC.O.
What is the InChIKey of triethyl borate;hydrate?
The InChIKey is UJSCNYYYFSWUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15BO3.H2O/c1-4-8-7(9-5-2)10-6-3;/h4-6H2,1-3H3;1H2.
What are the key properties of triethyl borate;hydrate?
triethyl borate;hydrate has a molecular weight of 164.01 g/mol, XLogP of 0.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl borate;hydrate is sourced from PubChem (CID 141236748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).