dibutyl(pentoxy)borane

C13H29BO — CID 86227108

IUPACdibutyl(pentoxy)borane
SMILESCCCCCOB(CCCC)CCCC
InChIInChI=1S/C13H29BO/c1-4-7-10-13-15-14(11-8-5-2)12-9-6-3/h4-13H2,1-3H3
InChIKeyRGLMGQOKEKFTHU-UHFFFAOYSA-N
MW212.19 g/mol
LogP4.78
Rot. Bonds11

About dibutyl(pentoxy)borane

dibutyl(pentoxy)borane (PubChem CID 86227108) has the molecular formula C13H29BO and a molecular weight of 212.19 g/mol. Its IUPAC name is dibutyl(pentoxy)borane.

Molecular Properties

Compound Namedibutyl(pentoxy)borane
PubChem CID86227108
Molecular FormulaC13H29BO
Molecular Weight212.19 g/mol
Exact Mass212.23
IUPAC Namedibutyl(pentoxy)borane
SMILESCCCCCOB(CCCC)CCCC
InChIInChI=1S/C13H29BO/c1-4-7-10-13-15-14(11-8-5-2)12-9-6-3/h4-13H2,1-3H3
InChIKeyRGLMGQOKEKFTHU-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Tripentyl borate
CID 12134
Butyl dibutylborinate
CID 11830386
Dibutyl 1-butaneboronate
CID 12420349
Diethylborinic acid hexyl ester
CID 12421676
Hexyl dipropylborinate
CID 12421677
Hexyl dibutylborinate
CID 12421678
Ethaneboronic acid dibutyl ester
CID 12421680
Butyl diethylborinate
CID 12434719
Butoxydipropylborane
CID 13227163
Ethoxydipentylborane
CID 23268359
Dibutyl propylboronate
CID 89593817
Dibutyl propan-2-ylboronate
CID 15584532

Frequently Asked Questions

What is the IUPAC name of dibutyl(pentoxy)borane?
The IUPAC name of dibutyl(pentoxy)borane (CID 86227108) is dibutyl(pentoxy)borane.
What is the SMILES notation for dibutyl(pentoxy)borane?
The canonical SMILES for dibutyl(pentoxy)borane is CCCCCOB(CCCC)CCCC.
What is the InChIKey of dibutyl(pentoxy)borane?
The InChIKey is RGLMGQOKEKFTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29BO/c1-4-7-10-13-15-14(11-8-5-2)12-9-6-3/h4-13H2,1-3H3.
What are the key properties of dibutyl(pentoxy)borane?
dibutyl(pentoxy)borane has a molecular weight of 212.19 g/mol, XLogP of 4.78, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(pentoxy)borane is sourced from PubChem (CID 86227108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).