butan-2-yl dimethyl borate

C6H15BO3 — CID 57057381

IUPACbutan-2-yl dimethyl borate
SMILESCCC(C)OB(OC)OC
InChIInChI=1S/C6H15BO3/c1-5-6(2)10-7(8-3)9-4/h6H,5H2,1-4H3
InChIKeyFRRPSNFKHZYBSS-UHFFFAOYSA-N
MW146.00 g/mol
LogP1.08
Rot. Bonds5

About butan-2-yl dimethyl borate

butan-2-yl dimethyl borate (PubChem CID 57057381) has the molecular formula C6H15BO3 and a molecular weight of 146.00 g/mol. Its IUPAC name is butan-2-yl dimethyl borate.

Molecular Properties

Compound Namebutan-2-yl dimethyl borate
PubChem CID57057381
Molecular FormulaC6H15BO3
Molecular Weight146.00 g/mol
Exact Mass146.11
IUPAC Namebutan-2-yl dimethyl borate
SMILESCCC(C)OB(OC)OC
InChIInChI=1S/C6H15BO3/c1-5-6(2)10-7(8-3)9-4/h6H,5H2,1-4H3
InChIKeyFRRPSNFKHZYBSS-UHFFFAOYSA-N
XLogP1.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.00
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Triisopropyl borate
CID 21531
Butyl metaborate
CID 92648
Peroxide, bis(1-methylethyl)
CID 140114
Tris(1-methylpropyl) borate
CID 31077
Diisopropoxymethylborane
CID 3392711
Potassium hydro(triisopropoxy)borate
CID 23684572
Strontium isopropoxide
CID 6099237
Barium isopropoxide
CID 6101105
Bis(propan-2-yl) butylboronate
CID 3775344
Magnesium dipropan-2-olate
CID 10197750
Calcium propan-2-olate
CID 13766994
2-propanol, zinc salt
CID 14009701

Frequently Asked Questions

What is the IUPAC name of butan-2-yl dimethyl borate?
The IUPAC name of butan-2-yl dimethyl borate (CID 57057381) is butan-2-yl dimethyl borate.
What is the SMILES notation for butan-2-yl dimethyl borate?
The canonical SMILES for butan-2-yl dimethyl borate is CCC(C)OB(OC)OC.
What is the InChIKey of butan-2-yl dimethyl borate?
The InChIKey is FRRPSNFKHZYBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15BO3/c1-5-6(2)10-7(8-3)9-4/h6H,5H2,1-4H3.
What are the key properties of butan-2-yl dimethyl borate?
butan-2-yl dimethyl borate has a molecular weight of 146.00 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl dimethyl borate is sourced from PubChem (CID 57057381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).