4,4,5,5-tetramethyl-2-[(E)-spiro[3.4]oct-6-en-3-ylidenemethyl]-1,3,2-dioxaborolane

C15H23BO2 — CID 170901375

IUPAC4,4,5,5-tetramethyl-2-[(E)-spiro[3.4]oct-6-en-3-ylidenemethyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C2\CCC23CC=CC3)OC1(C)C
InChIInChI=1S/C15H23BO2/c1-13(2)14(3,4)18-16(17-13)11-12-7-10-15(12)8-5-6-9-15/h5-6,11H,7-10H2,1-4H3/b12-11+
InChIKeyDYBUHEXMYVGUPS-VAWYXSNFSA-N
MW246.16 g/mol
LogP3.67
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-[(E)-spiro[3.4]oct-6-en-3-ylidenemethyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(E)-spiro[3.4]oct-6-en-3-ylidenemethyl]-1,3,2-dioxaborolane (PubChem CID 170901375) has the molecular formula C15H23BO2 and a molecular weight of 246.16 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(E)-spiro[3.4]oct-6-en-3-ylidenemethyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(E)-spiro[3.4]oct-6-en-3-ylidenemethyl]-1,3,2-dioxaborolane
PubChem CID170901375
Molecular FormulaC15H23BO2
Molecular Weight246.16 g/mol
Exact Mass246.18
IUPAC Name4,4,5,5-tetramethyl-2-[(E)-spiro[3.4]oct-6-en-3-ylidenemethyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C2\CCC23CC=CC3)OC1(C)C
InChIInChI=1S/C15H23BO2/c1-13(2)14(3,4)18-16(17-13)11-12-7-10-15(12)8-5-6-9-15/h5-6,11H,7-10H2,1-4H3/b12-11+
InChIKeyDYBUHEXMYVGUPS-VAWYXSNFSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.16
LogP ≤ 53.67
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

4,4,5,5-tetramethyl-2-(spiro[2.5]octan-6-ylidenemethyl)-1,3,2-dioxaborolane
CID 155982298
2-[(E)-(2,2-dimethyloxan-4-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170903232
4,4,5,5-tetramethyl-2-[(1-methylcyclopent-3-en-1-yl)methyl]-1,3,2-dioxaborolane
CID 170984334
6-methyl-2-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,3,6,2-dioxazaborocane-4,8-dione
CID 99779896
4,4,5,5-tetramethyl-2-[(E)-2-(1-methylsulfanylcyclopropyl)ethenyl]-1,3,2-dioxaborolane
CID 165465545
1-propan-2-yl-4-[4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]piperazine
CID 58486200
(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenol
CID 166102136
methyl-diphenyl-[3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobut-2-en-1-yl]silane
CID 134999569
1-methyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]imidazole
CID 165471185
2-cyclohexa-1,3-dien-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 70807512
tert-butyl-[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]cyclohexyl]oxy-dimethylsilane
CID 11260225
4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclooctyl]-1,3,2-dioxaborolane
CID 154713253

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-spiro[3.4]oct-6-en-3-ylidenemethyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(E)-spiro[3.4]oct-6-en-3-ylidenemethyl]-1,3,2-dioxaborolane (CID 170901375) is 4,4,5,5-tetramethyl-2-[(E)-spiro[3.4]oct-6-en-3-ylidenemethyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(E)-spiro[3.4]oct-6-en-3-ylidenemethyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(E)-spiro[3.4]oct-6-en-3-ylidenemethyl]-1,3,2-dioxaborolane is CC1(C)OB(/C=C2\CCC23CC=CC3)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(E)-spiro[3.4]oct-6-en-3-ylidenemethyl]-1,3,2-dioxaborolane?
The InChIKey is DYBUHEXMYVGUPS-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H23BO2/c1-13(2)14(3,4)18-16(17-13)11-12-7-10-15(12)8-5-6-9-15/h5-6,11H,7-10H2,1-4H3/b12-11+.
What are the key properties of 4,4,5,5-tetramethyl-2-[(E)-spiro[3.4]oct-6-en-3-ylidenemethyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(E)-spiro[3.4]oct-6-en-3-ylidenemethyl]-1,3,2-dioxaborolane has a molecular weight of 246.16 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(E)-spiro[3.4]oct-6-en-3-ylidenemethyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 170901375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).