[(Z)-4-methoxy-3-methylbut-2-en-2-yl]-dimethylborane

C8H17BO — CID 134903587

IUPAC[(Z)-4-methoxy-3-methylbut-2-en-2-yl]-dimethylborane
SMILESCOC/C(C)=C(\C)B(C)C
InChIInChI=1S/C8H17BO/c1-7(6-10-5)8(2)9(3)4/h6H2,1-5H3/b8-7+
InChIKeySIUMVXSQDLINAF-BQYQJAHWSA-N
MW140.03 g/mol
LogP2.26
Rot. Bonds3

About [(Z)-4-methoxy-3-methylbut-2-en-2-yl]-dimethylborane

[(Z)-4-methoxy-3-methylbut-2-en-2-yl]-dimethylborane (PubChem CID 134903587) has the molecular formula C8H17BO and a molecular weight of 140.03 g/mol. Its IUPAC name is [(Z)-4-methoxy-3-methylbut-2-en-2-yl]-dimethylborane.

Molecular Properties

Compound Name[(Z)-4-methoxy-3-methylbut-2-en-2-yl]-dimethylborane
PubChem CID134903587
Molecular FormulaC8H17BO
Molecular Weight140.03 g/mol
Exact Mass140.14
IUPAC Name[(Z)-4-methoxy-3-methylbut-2-en-2-yl]-dimethylborane
SMILESCOC/C(C)=C(\C)B(C)C
InChIInChI=1S/C8H17BO/c1-7(6-10-5)8(2)9(3)4/h6H2,1-5H3/b8-7+
InChIKeySIUMVXSQDLINAF-BQYQJAHWSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.03
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(Z)-4-methoxy-3-methylbut-2-en-2-yl]-dimethylborane?
The IUPAC name of [(Z)-4-methoxy-3-methylbut-2-en-2-yl]-dimethylborane (CID 134903587) is [(Z)-4-methoxy-3-methylbut-2-en-2-yl]-dimethylborane.
What is the SMILES notation for [(Z)-4-methoxy-3-methylbut-2-en-2-yl]-dimethylborane?
The canonical SMILES for [(Z)-4-methoxy-3-methylbut-2-en-2-yl]-dimethylborane is COC/C(C)=C(\C)B(C)C.
What is the InChIKey of [(Z)-4-methoxy-3-methylbut-2-en-2-yl]-dimethylborane?
The InChIKey is SIUMVXSQDLINAF-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H17BO/c1-7(6-10-5)8(2)9(3)4/h6H2,1-5H3/b8-7+.
What are the key properties of [(Z)-4-methoxy-3-methylbut-2-en-2-yl]-dimethylborane?
[(Z)-4-methoxy-3-methylbut-2-en-2-yl]-dimethylborane has a molecular weight of 140.03 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-methoxy-3-methylbut-2-en-2-yl]-dimethylborane is sourced from PubChem (CID 134903587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).