diethyl(pent-2-en-3-yloxy)borane

C9H19BO — CID 54379197

IUPACdiethyl(pent-2-en-3-yloxy)borane
SMILESCC=C(CC)OB(CC)CC
InChIInChI=1S/C9H19BO/c1-5-9(6-2)11-10(7-3)8-4/h5H,6-8H2,1-4H3
InChIKeyUYTASKVFBLEJQS-UHFFFAOYSA-N
MW154.06 g/mol
LogP3.35
Rot. Bonds5

About diethyl(pent-2-en-3-yloxy)borane

diethyl(pent-2-en-3-yloxy)borane (PubChem CID 54379197) has the molecular formula C9H19BO and a molecular weight of 154.06 g/mol. Its IUPAC name is diethyl(pent-2-en-3-yloxy)borane.

Molecular Properties

Compound Namediethyl(pent-2-en-3-yloxy)borane
PubChem CID54379197
Molecular FormulaC9H19BO
Molecular Weight154.06 g/mol
Exact Mass154.15
IUPAC Namediethyl(pent-2-en-3-yloxy)borane
SMILESCC=C(CC)OB(CC)CC
InChIInChI=1S/C9H19BO/c1-5-9(6-2)11-10(7-3)8-4/h5H,6-8H2,1-4H3
InChIKeyUYTASKVFBLEJQS-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.06
LogP ≤ 53.35
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

dibutyl-[(E)-pent-2-en-3-yl]oxyborane
CID 12737528
(Z)-3-[(Z)-hex-2-en-3-yl]oxyhex-2-ene
CID 87913404
2-methyl-3-[(Z)-pent-2-en-3-yl]oxyhexane
CID 176949364
2-methyl-2-pent-2-en-3-yloxypentane
CID 57292041
2,4-dimethyl-5-pent-2-en-3-yloxypent-2-ene
CID 123612539
(E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]pent-2-ene
CID 142815355
1,2-bis(pent-2-en-3-yloxy)cyclohexane
CID 68539234
2,2-dimethyl-3-[(E)-pent-2-en-3-yl]oxypropan-1-ol
CID 134997394
diethyl(methoxy)borane
CID 522516
(E)-N-ethyl-5-methoxyhept-4-en-3-imine
CID 176925896
propane;ruthenium
CID 161061794
(Z)-1-ethylsulfanyl-2-methoxybut-2-ene
CID 23261294

Frequently Asked Questions

What is the IUPAC name of diethyl(pent-2-en-3-yloxy)borane?
The IUPAC name of diethyl(pent-2-en-3-yloxy)borane (CID 54379197) is diethyl(pent-2-en-3-yloxy)borane.
What is the SMILES notation for diethyl(pent-2-en-3-yloxy)borane?
The canonical SMILES for diethyl(pent-2-en-3-yloxy)borane is CC=C(CC)OB(CC)CC.
What is the InChIKey of diethyl(pent-2-en-3-yloxy)borane?
The InChIKey is UYTASKVFBLEJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BO/c1-5-9(6-2)11-10(7-3)8-4/h5H,6-8H2,1-4H3.
What are the key properties of diethyl(pent-2-en-3-yloxy)borane?
diethyl(pent-2-en-3-yloxy)borane has a molecular weight of 154.06 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(pent-2-en-3-yloxy)borane is sourced from PubChem (CID 54379197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).