diethyl-[(E)-4-methylhex-3-en-3-yl]borane

C11H23B — CID 15152785

IUPACdiethyl-[(E)-4-methylhex-3-en-3-yl]borane
SMILESCCB(CC)/C(CC)=C(/C)CC
InChIInChI=1S/C11H23B/c1-6-10(5)11(7-2)12(8-3)9-4/h6-9H2,1-5H3/b11-10-
InChIKeyZSOHMFWYFABIFP-KHPPLWFESA-N
MW166.12 g/mol
LogP4.20
Rot. Bonds5

About diethyl-[(E)-4-methylhex-3-en-3-yl]borane

diethyl-[(E)-4-methylhex-3-en-3-yl]borane (PubChem CID 15152785) has the molecular formula C11H23B and a molecular weight of 166.12 g/mol. Its IUPAC name is diethyl-[(E)-4-methylhex-3-en-3-yl]borane.

Molecular Properties

Compound Namediethyl-[(E)-4-methylhex-3-en-3-yl]borane
PubChem CID15152785
Molecular FormulaC11H23B
Molecular Weight166.12 g/mol
Exact Mass166.19
IUPAC Namediethyl-[(E)-4-methylhex-3-en-3-yl]borane
SMILESCCB(CC)/C(CC)=C(/C)CC
InChIInChI=1S/C11H23B/c1-6-10(5)11(7-2)12(8-3)9-4/h6-9H2,1-5H3/b11-10-
InChIKeyZSOHMFWYFABIFP-KHPPLWFESA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-[(E)-4-methylhex-3-en-3-yl]borane?
The IUPAC name of diethyl-[(E)-4-methylhex-3-en-3-yl]borane (CID 15152785) is diethyl-[(E)-4-methylhex-3-en-3-yl]borane.
What is the SMILES notation for diethyl-[(E)-4-methylhex-3-en-3-yl]borane?
The canonical SMILES for diethyl-[(E)-4-methylhex-3-en-3-yl]borane is CCB(CC)/C(CC)=C(/C)CC.
What is the InChIKey of diethyl-[(E)-4-methylhex-3-en-3-yl]borane?
The InChIKey is ZSOHMFWYFABIFP-KHPPLWFESA-N. The full InChI is InChI=1S/C11H23B/c1-6-10(5)11(7-2)12(8-3)9-4/h6-9H2,1-5H3/b11-10-.
What are the key properties of diethyl-[(E)-4-methylhex-3-en-3-yl]borane?
diethyl-[(E)-4-methylhex-3-en-3-yl]borane has a molecular weight of 166.12 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(E)-4-methylhex-3-en-3-yl]borane is sourced from PubChem (CID 15152785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).