butyl-di(propan-2-yloxy)borane

C10H23BO2 — CID 3775344

IUPACbutyl-di(propan-2-yloxy)borane
SMILESCCCCB(OC(C)C)OC(C)C
InChIInChI=1S/C10H23BO2/c1-6-7-8-11(12-9(2)3)13-10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyQNRNUKUCUSOJKW-UHFFFAOYSA-N
MW186.10 g/mol
LogP3.12
Rot. Bonds7

About butyl-di(propan-2-yloxy)borane

butyl-di(propan-2-yloxy)borane (PubChem CID 3775344) has the molecular formula C10H23BO2 and a molecular weight of 186.10 g/mol. Its IUPAC name is butyl-di(propan-2-yloxy)borane.

Molecular Properties

Compound Namebutyl-di(propan-2-yloxy)borane
PubChem CID3775344
Molecular FormulaC10H23BO2
Molecular Weight186.10 g/mol
Exact Mass186.18
IUPAC Namebutyl-di(propan-2-yloxy)borane
SMILESCCCCB(OC(C)C)OC(C)C
InChIInChI=1S/C10H23BO2/c1-6-7-8-11(12-9(2)3)13-10(4)5/h9-10H,6-8H2,1-5H3
InChIKeyQNRNUKUCUSOJKW-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 53.12
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

hexyl-di(propan-2-yloxy)borane
CID 13183257
butyl-ethoxy-propan-2-yloxyborane
CID 20654637
butyl(diethoxy)borane
CID 529038
butyl-[(E)-hex-1-enyl]-propan-2-yloxyborane
CID 11052896
hexan-2-yl-di(propan-2-yloxy)borane
CID 57174068
1-propan-2-yloxybutane;zirconium
CID 174617524
methane;1-propan-2-yloxybutane
CID 158518476
1-methoxy-2-(2-methoxypropoxy)propane;pentane
CID 118376955
pentane;stannane
CID 173279416
1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
CID 71356467
[(2R)-butan-2-yl]-[(E)-hex-1-enyl]-propan-2-yloxyborane
CID 11106617
butyl(2,3-dimethylbutan-2-yloxy)borinic acid
CID 123856828

Frequently Asked Questions

What is the IUPAC name of butyl-di(propan-2-yloxy)borane?
The IUPAC name of butyl-di(propan-2-yloxy)borane (CID 3775344) is butyl-di(propan-2-yloxy)borane.
What is the SMILES notation for butyl-di(propan-2-yloxy)borane?
The canonical SMILES for butyl-di(propan-2-yloxy)borane is CCCCB(OC(C)C)OC(C)C.
What is the InChIKey of butyl-di(propan-2-yloxy)borane?
The InChIKey is QNRNUKUCUSOJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23BO2/c1-6-7-8-11(12-9(2)3)13-10(4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of butyl-di(propan-2-yloxy)borane?
butyl-di(propan-2-yloxy)borane has a molecular weight of 186.10 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-di(propan-2-yloxy)borane is sourced from PubChem (CID 3775344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).