bis(2,2-dimethylpropoxy)-ethylborane

C12H27BO2 — CID 551283

IUPACbis(2,2-dimethylpropoxy)-ethylborane
SMILESCCB(OCC(C)(C)C)OCC(C)(C)C
InChIInChI=1S/C12H27BO2/c1-8-13(14-9-11(2,3)4)15-10-12(5,6)7/h8-10H2,1-7H3
InChIKeyOPFQGZLIZXSKMH-UHFFFAOYSA-N
MW214.16 g/mol
LogP3.62
Rot. Bonds5

About bis(2,2-dimethylpropoxy)-ethylborane

bis(2,2-dimethylpropoxy)-ethylborane (PubChem CID 551283) has the molecular formula C12H27BO2 and a molecular weight of 214.16 g/mol. Its IUPAC name is bis(2,2-dimethylpropoxy)-ethylborane.

Molecular Properties

Compound Namebis(2,2-dimethylpropoxy)-ethylborane
PubChem CID551283
Molecular FormulaC12H27BO2
Molecular Weight214.16 g/mol
Exact Mass214.21
IUPAC Namebis(2,2-dimethylpropoxy)-ethylborane
SMILESCCB(OCC(C)(C)C)OCC(C)(C)C
InChIInChI=1S/C12H27BO2/c1-8-13(14-9-11(2,3)4)15-10-12(5,6)7/h8-10H2,1-7H3
InChIKeyOPFQGZLIZXSKMH-UHFFFAOYSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Boric acid (H3BO3), tripropyl ester
CID 12711
Triisobutyl borate
CID 61587
Trineopentyl orthoborate
CID 79559
Dibutyl 1-butaneboronate
CID 12420349
Ethaneboronic acid dibutyl ester
CID 12421680
5,5-Dimethyl-2-(propan-2-yl)-1,3,2-dioxaborinane
CID 13157918
Diethyl 2-butylboronate
CID 13278257
Dibutyl propylboronate
CID 89593817
Borane, butyl, diethoxy
CID 529038
Borane, butyl, dipropoxy
CID 529039
Ethyl(dipropoxy)borane
CID 14024414
Boronic acid, (2-methylpropyl)-, bis(2-methylpropyl) ester
CID 11241344

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropoxy)-ethylborane?
The IUPAC name of bis(2,2-dimethylpropoxy)-ethylborane (CID 551283) is bis(2,2-dimethylpropoxy)-ethylborane.
What is the SMILES notation for bis(2,2-dimethylpropoxy)-ethylborane?
The canonical SMILES for bis(2,2-dimethylpropoxy)-ethylborane is CCB(OCC(C)(C)C)OCC(C)(C)C.
What is the InChIKey of bis(2,2-dimethylpropoxy)-ethylborane?
The InChIKey is OPFQGZLIZXSKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27BO2/c1-8-13(14-9-11(2,3)4)15-10-12(5,6)7/h8-10H2,1-7H3.
What are the key properties of bis(2,2-dimethylpropoxy)-ethylborane?
bis(2,2-dimethylpropoxy)-ethylborane has a molecular weight of 214.16 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropoxy)-ethylborane is sourced from PubChem (CID 551283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).