dipropoxyboranyl dipropyl borate

C12H28B2O5 — CID 141350690

IUPACdipropoxyboranyl dipropyl borate
SMILESCCCOB(OCCC)OB(OCCC)OCCC
InChIInChI=1S/C12H28B2O5/c1-5-9-15-13(16-10-6-2)19-14(17-11-7-3)18-12-8-4/h5-12H2,1-4H3
InChIKeyFJLWIYWWPOXKAK-UHFFFAOYSA-N
MW273.97 g/mol
LogP2.68
Rot. Bonds14

About dipropoxyboranyl dipropyl borate

dipropoxyboranyl dipropyl borate (PubChem CID 141350690) has the molecular formula C12H28B2O5 and a molecular weight of 273.97 g/mol. Its IUPAC name is dipropoxyboranyl dipropyl borate.

Molecular Properties

Compound Namedipropoxyboranyl dipropyl borate
PubChem CID141350690
Molecular FormulaC12H28B2O5
Molecular Weight273.97 g/mol
Exact Mass274.21
IUPAC Namedipropoxyboranyl dipropyl borate
SMILESCCCOB(OCCC)OB(OCCC)OCCC
InChIInChI=1S/C12H28B2O5/c1-5-9-15-13(16-10-6-2)19-14(17-11-7-3)18-12-8-4/h5-12H2,1-4H3
InChIKeyFJLWIYWWPOXKAK-UHFFFAOYSA-N
XLogP2.68
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.97
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cyanomethyl dipropyl borate
CID 151454429
trihexyl borate
CID 21423
ethylsulfanyl(dipropoxy)borane
CID 154135738
pentapropoxy-λ5-stibane
CID 16703362
tris(2-hexadecoxyethyl) borate
CID 20570243
tridecoxyboronic acid;tridodecyl borate
CID 174050200
propane-1,2-diol;propoxyboronic acid
CID 158326644
dibutoxy(cyclopenta-2,4-dien-1-yl)borane
CID 101333486
tris(4-octadecylsulfanylbutyl) borate
CID 139922481
triethyl borate;hydrate
CID 141236748
ethane;propane;1-propoxypropane
CID 143757970
propoxygermane
CID 154156354

Frequently Asked Questions

What is the IUPAC name of dipropoxyboranyl dipropyl borate?
The IUPAC name of dipropoxyboranyl dipropyl borate (CID 141350690) is dipropoxyboranyl dipropyl borate.
What is the SMILES notation for dipropoxyboranyl dipropyl borate?
The canonical SMILES for dipropoxyboranyl dipropyl borate is CCCOB(OCCC)OB(OCCC)OCCC.
What is the InChIKey of dipropoxyboranyl dipropyl borate?
The InChIKey is FJLWIYWWPOXKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28B2O5/c1-5-9-15-13(16-10-6-2)19-14(17-11-7-3)18-12-8-4/h5-12H2,1-4H3.
What are the key properties of dipropoxyboranyl dipropyl borate?
dipropoxyboranyl dipropyl borate has a molecular weight of 273.97 g/mol, XLogP of 2.68, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropoxyboranyl dipropyl borate is sourced from PubChem (CID 141350690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).