2,4-dimethylpent-2-en-3-yl(dimethyl)borane

C9H19B — CID 20775189

IUPAC2,4-dimethylpent-2-en-3-yl(dimethyl)borane
SMILESCB(C)C(=C(C)C)C(C)C
InChIInChI=1S/C9H19B/c1-7(2)9(8(3)4)10(5)6/h7H,1-6H3
InChIKeyMWDONWYKFKLGKS-UHFFFAOYSA-N
MW138.06 g/mol
LogP3.27
Rot. Bonds2

About 2,4-dimethylpent-2-en-3-yl(dimethyl)borane

2,4-dimethylpent-2-en-3-yl(dimethyl)borane (PubChem CID 20775189) has the molecular formula C9H19B and a molecular weight of 138.06 g/mol. Its IUPAC name is 2,4-dimethylpent-2-en-3-yl(dimethyl)borane.

Molecular Properties

Compound Name2,4-dimethylpent-2-en-3-yl(dimethyl)borane
PubChem CID20775189
Molecular FormulaC9H19B
Molecular Weight138.06 g/mol
Exact Mass138.16
IUPAC Name2,4-dimethylpent-2-en-3-yl(dimethyl)borane
SMILESCB(C)C(=C(C)C)C(C)C
InChIInChI=1S/C9H19B/c1-7(2)9(8(3)4)10(5)6/h7H,1-6H3
InChIKeyMWDONWYKFKLGKS-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.06
LogP ≤ 53.27
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 2,4-dimethylpent-2-en-3-yl(dimethyl)borane?
The IUPAC name of 2,4-dimethylpent-2-en-3-yl(dimethyl)borane (CID 20775189) is 2,4-dimethylpent-2-en-3-yl(dimethyl)borane.
What is the SMILES notation for 2,4-dimethylpent-2-en-3-yl(dimethyl)borane?
The canonical SMILES for 2,4-dimethylpent-2-en-3-yl(dimethyl)borane is CB(C)C(=C(C)C)C(C)C.
What is the InChIKey of 2,4-dimethylpent-2-en-3-yl(dimethyl)borane?
The InChIKey is MWDONWYKFKLGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19B/c1-7(2)9(8(3)4)10(5)6/h7H,1-6H3.
What are the key properties of 2,4-dimethylpent-2-en-3-yl(dimethyl)borane?
2,4-dimethylpent-2-en-3-yl(dimethyl)borane has a molecular weight of 138.06 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpent-2-en-3-yl(dimethyl)borane is sourced from PubChem (CID 20775189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).