4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptyl]ethenyl]-1,3,2-dioxaborolane

C22H40B2O4 — CID 134904657

IUPAC4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptyl]ethenyl]-1,3,2-dioxaborolane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C1(C)CCCCCC1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C22H40B2O4/c1-16(23-25-18(2,3)19(4,5)26-23)22(10)15-13-11-12-14-17(22)24-27-20(6,7)21(8,9)28-24/h17H,1,11-15H2,2-10H3
InChIKeyFZTAVNHLZULDFK-UHFFFAOYSA-N
MW390.18 g/mol
LogP5.61
Rot. Bonds3

About 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptyl]ethenyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptyl]ethenyl]-1,3,2-dioxaborolane (PubChem CID 134904657) has the molecular formula C22H40B2O4 and a molecular weight of 390.18 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptyl]ethenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptyl]ethenyl]-1,3,2-dioxaborolane
PubChem CID134904657
Molecular FormulaC22H40B2O4
Molecular Weight390.18 g/mol
Exact Mass390.31
IUPAC Name4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptyl]ethenyl]-1,3,2-dioxaborolane
SMILESC=C(B1OC(C)(C)C(C)(C)O1)C1(C)CCCCCC1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C22H40B2O4/c1-16(23-25-18(2,3)19(4,5)26-23)22(10)15-13-11-12-14-17(22)24-27-20(6,7)21(8,9)28-24/h17H,1,11-15H2,2-10H3
InChIKeyFZTAVNHLZULDFK-UHFFFAOYSA-N
XLogP5.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.18
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptyl]ethenyl]-1,3,2-dioxaborolane with MolForge

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Related Compounds

4,4,5,5-Tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]ethenyl]-1,3,2-dioxaborolane
CID 134904465
4,4,5,5-Tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclooctyl]ethenyl]-1,3,2-dioxaborolane
CID 134904472
4,4,5,5-Tetramethyl-2-[2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]octyl]-1,3,2-dioxaborolane
CID 134904498
4,4,5,5-Tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]ethenyl]-1,3,2-dioxaborolane
CID 134904660
2-[(2S)-2-cyclohexyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154719008
4,4,5,5-Tetramethyl-2-[2-(1-methylcycloheptyl)ethenyl]-1,3,2-dioxaborolane
CID 133629100
2-[(Z)-(4-tert-butylcycloheptylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 133682062

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptyl]ethenyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptyl]ethenyl]-1,3,2-dioxaborolane (CID 134904657) is 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptyl]ethenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptyl]ethenyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptyl]ethenyl]-1,3,2-dioxaborolane is C=C(B1OC(C)(C)C(C)(C)O1)C1(C)CCCCCC1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptyl]ethenyl]-1,3,2-dioxaborolane?
The InChIKey is FZTAVNHLZULDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40B2O4/c1-16(23-25-18(2,3)19(4,5)26-23)22(10)15-13-11-12-14-17(22)24-27-20(6,7)21(8,9)28-24/h17H,1,11-15H2,2-10H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptyl]ethenyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptyl]ethenyl]-1,3,2-dioxaborolane has a molecular weight of 390.18 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[1-[1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cycloheptyl]ethenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 134904657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).