2-(2-cyclopropylidenecyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H19BO2 — CID 11275753

IUPAC2-(2-cyclopropylidenecyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CC2=C2CC2)OC1(C)C
InChIInChI=1S/C12H19BO2/c1-11(2)12(3,4)15-13(14-11)10-7-9(10)8-5-6-8/h10H,5-7H2,1-4H3
InChIKeyVDLTVOMAJYBKJZ-UHFFFAOYSA-N
MW206.09 g/mol
LogP2.94
Rot. Bonds1

About 2-(2-cyclopropylidenecyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2-cyclopropylidenecyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 11275753) has the molecular formula C12H19BO2 and a molecular weight of 206.09 g/mol. Its IUPAC name is 2-(2-cyclopropylidenecyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-cyclopropylidenecyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID11275753
Molecular FormulaC12H19BO2
Molecular Weight206.09 g/mol
Exact Mass206.15
IUPAC Name2-(2-cyclopropylidenecyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CC2=C2CC2)OC1(C)C
InChIInChI=1S/C12H19BO2/c1-11(2)12(3,4)15-13(14-11)10-7-9(10)8-5-6-8/h10H,5-7H2,1-4H3
InChIKeyVDLTVOMAJYBKJZ-UHFFFAOYSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.09
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylcyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102261791
2-(2,3-dihydro-1H-inden-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 122382852
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole
CID 15264672
2-(3,4-dihydro-1H-isochromen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174051385
(7R)-3-[3-(1-methylazetidin-3-yl)cyclobutyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thia-4-azabicyclo[3.2.0]hepta-1(5),3-diene
CID 174097116
4,4,5,5-tetramethyl-2-(1-methyl-2-bicyclo[1.1.1]pentanyl)-1,3,2-dioxaborolane
CID 169204381
(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine
CID 99774006
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
CID 115035375
4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane
CID 101198944
2-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155904864
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride
CID 53216775
2-[(1S)-2-cyclopropylcyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 74788899

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylidenecyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-cyclopropylidenecyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 11275753) is 2-(2-cyclopropylidenecyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-cyclopropylidenecyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-cyclopropylidenecyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2CC2=C2CC2)OC1(C)C.
What is the InChIKey of 2-(2-cyclopropylidenecyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is VDLTVOMAJYBKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BO2/c1-11(2)12(3,4)15-13(14-11)10-7-9(10)8-5-6-8/h10H,5-7H2,1-4H3.
What are the key properties of 2-(2-cyclopropylidenecyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2-cyclopropylidenecyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 206.09 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylidenecyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 11275753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).