dibutyl-[(E)-pent-2-en-3-yl]oxyborane

C13H27BO — CID 12737528

IUPACdibutyl-[(E)-pent-2-en-3-yl]oxyborane
SMILESC/C=C(\CC)OB(CCCC)CCCC
InChIInChI=1S/C13H27BO/c1-5-9-11-14(12-10-6-2)15-13(7-3)8-4/h7H,5-6,8-12H2,1-4H3/b13-7+
InChIKeyZSNXXCRLUQFPDP-NTUHNPAUSA-N
MW210.17 g/mol
LogP4.91
Rot. Bonds9

About dibutyl-[(E)-pent-2-en-3-yl]oxyborane

dibutyl-[(E)-pent-2-en-3-yl]oxyborane (PubChem CID 12737528) has the molecular formula C13H27BO and a molecular weight of 210.17 g/mol. Its IUPAC name is dibutyl-[(E)-pent-2-en-3-yl]oxyborane.

Molecular Properties

Compound Namedibutyl-[(E)-pent-2-en-3-yl]oxyborane
PubChem CID12737528
Molecular FormulaC13H27BO
Molecular Weight210.17 g/mol
Exact Mass210.22
IUPAC Namedibutyl-[(E)-pent-2-en-3-yl]oxyborane
SMILESC/C=C(\CC)OB(CCCC)CCCC
InChIInChI=1S/C13H27BO/c1-5-9-11-14(12-10-6-2)15-13(7-3)8-4/h7H,5-6,8-12H2,1-4H3/b13-7+
InChIKeyZSNXXCRLUQFPDP-NTUHNPAUSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

diethyl(pent-2-en-3-yloxy)borane
CID 54379197
dibutyl-[(2-methylpropan-2-yl)oxy]borane
CID 15908787
(Z)-3-[(Z)-hex-2-en-3-yl]oxyhex-2-ene
CID 87913404
dibutylboranyl (9Z,12Z)-octadeca-9,12-dienoate
CID 160649441
methoxy(dipentyl)borane
CID 12705652
butyl(2,3-dimethylbutan-2-yloxy)borinic acid
CID 123856828
2-methyl-3-[(Z)-pent-2-en-3-yl]oxyhexane
CID 176949364
2-methyl-2-pent-2-en-3-yloxypentane
CID 57292041
(E)-4-methoxyoct-3-en-1-yne
CID 101065502
CID 158911763
CID 158911763
aminooxy(pentyl)borinic acid
CID 88633345
butyl(diethoxy)borane
CID 529038

Frequently Asked Questions

What is the IUPAC name of dibutyl-[(E)-pent-2-en-3-yl]oxyborane?
The IUPAC name of dibutyl-[(E)-pent-2-en-3-yl]oxyborane (CID 12737528) is dibutyl-[(E)-pent-2-en-3-yl]oxyborane.
What is the SMILES notation for dibutyl-[(E)-pent-2-en-3-yl]oxyborane?
The canonical SMILES for dibutyl-[(E)-pent-2-en-3-yl]oxyborane is C/C=C(\CC)OB(CCCC)CCCC.
What is the InChIKey of dibutyl-[(E)-pent-2-en-3-yl]oxyborane?
The InChIKey is ZSNXXCRLUQFPDP-NTUHNPAUSA-N. The full InChI is InChI=1S/C13H27BO/c1-5-9-11-14(12-10-6-2)15-13(7-3)8-4/h7H,5-6,8-12H2,1-4H3/b13-7+.
What are the key properties of dibutyl-[(E)-pent-2-en-3-yl]oxyborane?
dibutyl-[(E)-pent-2-en-3-yl]oxyborane has a molecular weight of 210.17 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[(E)-pent-2-en-3-yl]oxyborane is sourced from PubChem (CID 12737528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).