dibutoxy(propan-2-yl)borane

C11H25BO2 — CID 15584532

IUPACdibutoxy(propan-2-yl)borane
SMILESCCCCOB(OCCCC)C(C)C
InChIInChI=1S/C11H25BO2/c1-5-7-9-13-12(11(3)4)14-10-8-6-2/h11H,5-10H2,1-4H3
InChIKeyVBIRLSOWYMVCKT-UHFFFAOYSA-N
MW200.13 g/mol
LogP3.52
Rot. Bonds9

About dibutoxy(propan-2-yl)borane

dibutoxy(propan-2-yl)borane (PubChem CID 15584532) has the molecular formula C11H25BO2 and a molecular weight of 200.13 g/mol. Its IUPAC name is dibutoxy(propan-2-yl)borane.

Molecular Properties

Compound Namedibutoxy(propan-2-yl)borane
PubChem CID15584532
Molecular FormulaC11H25BO2
Molecular Weight200.13 g/mol
Exact Mass200.19
IUPAC Namedibutoxy(propan-2-yl)borane
SMILESCCCCOB(OCCCC)C(C)C
InChIInChI=1S/C11H25BO2/c1-5-7-9-13-12(11(3)4)14-10-8-6-2/h11H,5-10H2,1-4H3
InChIKeyVBIRLSOWYMVCKT-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Tributyl borate
CID 12712
Boric acid (H3BO3), tripropyl ester
CID 12711
Butyl metaborate
CID 92648
Dibutyl Vinylboronate (stabilized with Phenothiazine)
CID 236543
Bis(propan-2-yl) butylboronate
CID 3775344
Tributyl borate-10B
CID 16212785
Dibutyl iodomethaneboronate
CID 98591
Bis(2,2-dimethylpropyl) ethylboronate
CID 551283
Dibutyl ethynylboronate
CID 21677676
Butyl dibutylborinate
CID 11830386
Dibutyl 1-butaneboronate
CID 12420349
Ethaneboronic acid dibutyl ester
CID 12421680

Frequently Asked Questions

What is the IUPAC name of dibutoxy(propan-2-yl)borane?
The IUPAC name of dibutoxy(propan-2-yl)borane (CID 15584532) is dibutoxy(propan-2-yl)borane.
What is the SMILES notation for dibutoxy(propan-2-yl)borane?
The canonical SMILES for dibutoxy(propan-2-yl)borane is CCCCOB(OCCCC)C(C)C.
What is the InChIKey of dibutoxy(propan-2-yl)borane?
The InChIKey is VBIRLSOWYMVCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25BO2/c1-5-7-9-13-12(11(3)4)14-10-8-6-2/h11H,5-10H2,1-4H3.
What are the key properties of dibutoxy(propan-2-yl)borane?
dibutoxy(propan-2-yl)borane has a molecular weight of 200.13 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy(propan-2-yl)borane is sourced from PubChem (CID 15584532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).