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

C11H23B — CID 5362753

IUPACdiethyl-[(Z)-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-ZHACJKMWSA-N
MW166.12 g/mol
LogP4.20
Rot. Bonds5

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

diethyl-[(Z)-4-methylhex-3-en-3-yl]borane (PubChem CID 5362753) has the molecular formula C11H23B and a molecular weight of 166.12 g/mol. Its IUPAC name is diethyl-[(Z)-4-methylhex-3-en-3-yl]borane.

Molecular Properties

Compound Namediethyl-[(Z)-4-methylhex-3-en-3-yl]borane
PubChem CID5362753
Molecular FormulaC11H23B
Molecular Weight166.12 g/mol
Exact Mass166.19
IUPAC Namediethyl-[(Z)-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-ZHACJKMWSA-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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Related Compounds

(E)-3,4-Dimethylhex-3-ene
CID 3034312
3,4-Diethyl-3-hexene
CID 136668
3-Ethyl-2-methyl-2-pentene
CID 140592
(Z)-3,4-dimethylhex-3-ene
CID 3034311
3-Hexene, 3-ethyl-4-methyl-
CID 142781
3,4-Dimethylhex-3-ene
CID 88151
Borane, diethyl[1-ethyl-2-(trimethylstannyl)-1-propenyl]-
CID 5362824
[(E)-3-diethylboranylpent-2-en-2-yl]-trimethylstannane
CID 12060888
[(E)-3-diethylboranylpent-2-en-2-yl]-trimethylgermane
CID 14436720
2,3-Di-tert-butyl-1-methyl-1H-borirene
CID 15567374
Borane, ((1Z)-1-ethyl-2-methyl-1,2-ethenediyl)bis(diethyl-
CID 15733565
[(E)-3-diethylboranylpent-2-en-2-yl]-trimethylplumbane
CID 14387253

Frequently Asked Questions

What is the IUPAC name of diethyl-[(Z)-4-methylhex-3-en-3-yl]borane?
The IUPAC name of diethyl-[(Z)-4-methylhex-3-en-3-yl]borane (CID 5362753) is diethyl-[(Z)-4-methylhex-3-en-3-yl]borane.
What is the SMILES notation for diethyl-[(Z)-4-methylhex-3-en-3-yl]borane?
The canonical SMILES for diethyl-[(Z)-4-methylhex-3-en-3-yl]borane is CCB(CC)/C(CC)=C(\C)CC.
What is the InChIKey of diethyl-[(Z)-4-methylhex-3-en-3-yl]borane?
The InChIKey is ZSOHMFWYFABIFP-ZHACJKMWSA-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-[(Z)-4-methylhex-3-en-3-yl]borane?
diethyl-[(Z)-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-[(Z)-4-methylhex-3-en-3-yl]borane is sourced from PubChem (CID 5362753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).