dimethoxy(2-methylidenebut-3-enyl)borane

C7H13BO2 — CID 131845841

IUPACdimethoxy(2-methylidenebut-3-enyl)borane
SMILESC=CC(=C)CB(OC)OC
InChIInChI=1S/C7H13BO2/c1-5-7(2)6-8(9-3)10-4/h5H,1-2,6H2,3-4H3
InChIKeyYMOOQUJMFZIEFC-UHFFFAOYSA-N
MW139.99 g/mol
LogP1.51
Rot. Bonds5

About dimethoxy(2-methylidenebut-3-enyl)borane

dimethoxy(2-methylidenebut-3-enyl)borane (PubChem CID 131845841) has the molecular formula C7H13BO2 and a molecular weight of 139.99 g/mol. Its IUPAC name is dimethoxy(2-methylidenebut-3-enyl)borane.

Molecular Properties

Compound Namedimethoxy(2-methylidenebut-3-enyl)borane
PubChem CID131845841
Molecular FormulaC7H13BO2
Molecular Weight139.99 g/mol
Exact Mass140.10
IUPAC Namedimethoxy(2-methylidenebut-3-enyl)borane
SMILESC=CC(=C)CB(OC)OC
InChIInChI=1S/C7H13BO2/c1-5-7(2)6-8(9-3)10-4/h5H,1-2,6H2,3-4H3
InChIKeyYMOOQUJMFZIEFC-UHFFFAOYSA-N
XLogP1.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.99
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxy(2-methylidenebut-3-enyl)borane?
The IUPAC name of dimethoxy(2-methylidenebut-3-enyl)borane (CID 131845841) is dimethoxy(2-methylidenebut-3-enyl)borane.
What is the SMILES notation for dimethoxy(2-methylidenebut-3-enyl)borane?
The canonical SMILES for dimethoxy(2-methylidenebut-3-enyl)borane is C=CC(=C)CB(OC)OC.
What is the InChIKey of dimethoxy(2-methylidenebut-3-enyl)borane?
The InChIKey is YMOOQUJMFZIEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BO2/c1-5-7(2)6-8(9-3)10-4/h5H,1-2,6H2,3-4H3.
What are the key properties of dimethoxy(2-methylidenebut-3-enyl)borane?
dimethoxy(2-methylidenebut-3-enyl)borane has a molecular weight of 139.99 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy(2-methylidenebut-3-enyl)borane is sourced from PubChem (CID 131845841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).