(4-dimethoxyboranylphenyl)-dimethoxyborane

C10H16B2O4 — CID 90179871

IUPAC(4-dimethoxyboranylphenyl)-dimethoxyborane
SMILESCOB(OC)c1ccc(B(OC)OC)cc1
InChIInChI=1S/C10H16B2O4/c1-13-11(14-2)9-5-7-10(8-6-9)12(15-3)16-4/h5-8H,1-4H3
InChIKeyPPYIKTQUJYXVQS-UHFFFAOYSA-N
MW221.86 g/mol
LogP-0.34
Rot. Bonds6

About (4-dimethoxyboranylphenyl)-dimethoxyborane

(4-dimethoxyboranylphenyl)-dimethoxyborane (PubChem CID 90179871) has the molecular formula C10H16B2O4 and a molecular weight of 221.86 g/mol. Its IUPAC name is (4-dimethoxyboranylphenyl)-dimethoxyborane.

Molecular Properties

Compound Name(4-dimethoxyboranylphenyl)-dimethoxyborane
PubChem CID90179871
Molecular FormulaC10H16B2O4
Molecular Weight221.86 g/mol
Exact Mass222.12
IUPAC Name(4-dimethoxyboranylphenyl)-dimethoxyborane
SMILESCOB(OC)c1ccc(B(OC)OC)cc1
InChIInChI=1S/C10H16B2O4/c1-13-11(14-2)9-5-7-10(8-6-9)12(15-3)16-4/h5-8H,1-4H3
InChIKeyPPYIKTQUJYXVQS-UHFFFAOYSA-N
XLogP-0.34
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.86
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-dimethoxyboranylphenyl)-dimethoxyborane?
The IUPAC name of (4-dimethoxyboranylphenyl)-dimethoxyborane (CID 90179871) is (4-dimethoxyboranylphenyl)-dimethoxyborane.
What is the SMILES notation for (4-dimethoxyboranylphenyl)-dimethoxyborane?
The canonical SMILES for (4-dimethoxyboranylphenyl)-dimethoxyborane is COB(OC)c1ccc(B(OC)OC)cc1.
What is the InChIKey of (4-dimethoxyboranylphenyl)-dimethoxyborane?
The InChIKey is PPYIKTQUJYXVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16B2O4/c1-13-11(14-2)9-5-7-10(8-6-9)12(15-3)16-4/h5-8H,1-4H3.
What are the key properties of (4-dimethoxyboranylphenyl)-dimethoxyborane?
(4-dimethoxyboranylphenyl)-dimethoxyborane has a molecular weight of 221.86 g/mol, XLogP of -0.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dimethoxyboranylphenyl)-dimethoxyborane is sourced from PubChem (CID 90179871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).