but-3-enyl(diethyl)borane

C8H17B — CID 160653840

IUPACbut-3-enyl(diethyl)borane
SMILESC=CCCB(CC)CC
InChIInChI=1S/C8H17B/c1-4-7-8-9(5-2)6-3/h4H,1,5-8H2,2-3H3
InChIKeySGGTVXGNOOXTKO-UHFFFAOYSA-N
MW124.04 g/mol
LogP3.10
Rot. Bonds5

About but-3-enyl(diethyl)borane

but-3-enyl(diethyl)borane (PubChem CID 160653840) has the molecular formula C8H17B and a molecular weight of 124.04 g/mol. Its IUPAC name is but-3-enyl(diethyl)borane.

Molecular Properties

Compound Namebut-3-enyl(diethyl)borane
PubChem CID160653840
Molecular FormulaC8H17B
Molecular Weight124.04 g/mol
Exact Mass124.14
IUPAC Namebut-3-enyl(diethyl)borane
SMILESC=CCCB(CC)CC
InChIInChI=1S/C8H17B/c1-4-7-8-9(5-2)6-3/h4H,1,5-8H2,2-3H3
InChIKeySGGTVXGNOOXTKO-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.04
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;pent-1-ene;propane
CID 162735255
(111C)pent-1-ene
CID 177423582
diethyl(propyl)borane
CID 535107
hexa-1,5-diene;propane;propan-1-ol
CID 145351847
CID 175109121
CID 175109121
CID 90692997
CID 90692997
butane;ethene;pent-1-ene
CID 177174553
bis(dec-1-ene);nonadeca-9,10-diene
CID 91436837
but-1-ene;ethene;pent-1-ene
CID 140771113
hex-1-ene;zinc
CID 174554611
but-1-ene;ethane;ethene;propane
CID 144521241
ethane;ethene;pent-1-ene;prop-1-ene
CID 142056611

Frequently Asked Questions

What is the IUPAC name of but-3-enyl(diethyl)borane?
The IUPAC name of but-3-enyl(diethyl)borane (CID 160653840) is but-3-enyl(diethyl)borane.
What is the SMILES notation for but-3-enyl(diethyl)borane?
The canonical SMILES for but-3-enyl(diethyl)borane is C=CCCB(CC)CC.
What is the InChIKey of but-3-enyl(diethyl)borane?
The InChIKey is SGGTVXGNOOXTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17B/c1-4-7-8-9(5-2)6-3/h4H,1,5-8H2,2-3H3.
What are the key properties of but-3-enyl(diethyl)borane?
but-3-enyl(diethyl)borane has a molecular weight of 124.04 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl(diethyl)borane is sourced from PubChem (CID 160653840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).