butan-2-yl-di(propan-2-yloxy)borane

C10H23BO2 — CID 13183021

IUPACbutan-2-yl-di(propan-2-yloxy)borane
SMILESCCC(C)B(OC(C)C)OC(C)C
InChIInChI=1S/C10H23BO2/c1-7-10(6)11(12-8(2)3)13-9(4)5/h8-10H,7H2,1-6H3
InChIKeyXFZIDDFTTVBEMX-UHFFFAOYSA-N
MW186.10 g/mol
LogP3.12
Rot. Bonds6

About butan-2-yl-di(propan-2-yloxy)borane

butan-2-yl-di(propan-2-yloxy)borane (PubChem CID 13183021) has the molecular formula C10H23BO2 and a molecular weight of 186.10 g/mol. Its IUPAC name is butan-2-yl-di(propan-2-yloxy)borane.

Molecular Properties

Compound Namebutan-2-yl-di(propan-2-yloxy)borane
PubChem CID13183021
Molecular FormulaC10H23BO2
Molecular Weight186.10 g/mol
Exact Mass186.18
IUPAC Namebutan-2-yl-di(propan-2-yloxy)borane
SMILESCCC(C)B(OC(C)C)OC(C)C
InChIInChI=1S/C10H23BO2/c1-7-10(6)11(12-8(2)3)13-9(4)5/h8-10H,7H2,1-6H3
InChIKeyXFZIDDFTTVBEMX-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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

CID 21531
CID 21531
CID 12711
CID 12711
CID 31077
CID 31077
CID 3392711
CID 3392711
CID 23684572
CID 23684572
CID 5326209
CID 5326209
CID 3775344
CID 3775344
CID 415841
CID 415841
CID 10858536
CID 10858536
CID 12153137
CID 12153137
CID 12420349
CID 12420349
CID 12421680
CID 12421680

Frequently Asked Questions

What is the IUPAC name of butan-2-yl-di(propan-2-yloxy)borane?
The IUPAC name of butan-2-yl-di(propan-2-yloxy)borane (CID 13183021) is butan-2-yl-di(propan-2-yloxy)borane.
What is the SMILES notation for butan-2-yl-di(propan-2-yloxy)borane?
The canonical SMILES for butan-2-yl-di(propan-2-yloxy)borane is CCC(C)B(OC(C)C)OC(C)C.
What is the InChIKey of butan-2-yl-di(propan-2-yloxy)borane?
The InChIKey is XFZIDDFTTVBEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23BO2/c1-7-10(6)11(12-8(2)3)13-9(4)5/h8-10H,7H2,1-6H3.
What are the key properties of butan-2-yl-di(propan-2-yloxy)borane?
butan-2-yl-di(propan-2-yloxy)borane has a molecular weight of 186.10 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-di(propan-2-yloxy)borane is sourced from PubChem (CID 13183021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).