4,4,5,5-tetramethyl-2-(spiro[2.5]octan-6-ylidenemethyl)-1,3,2-dioxaborolane

C15H25BO2 — CID 155982298

IUPAC4,4,5,5-tetramethyl-2-(spiro[2.5]octan-6-ylidenemethyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(C=C2CCC3(CC2)CC3)OC1(C)C
InChIInChI=1S/C15H25BO2/c1-13(2)14(3,4)18-16(17-13)11-12-5-7-15(8-6-12)9-10-15/h11H,5-10H2,1-4H3
InChIKeyHSFMKZBMPJWDTD-UHFFFAOYSA-N
MW248.17 g/mol
LogP3.90
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-(spiro[2.5]octan-6-ylidenemethyl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(spiro[2.5]octan-6-ylidenemethyl)-1,3,2-dioxaborolane (PubChem CID 155982298) has the molecular formula C15H25BO2 and a molecular weight of 248.17 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(spiro[2.5]octan-6-ylidenemethyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(spiro[2.5]octan-6-ylidenemethyl)-1,3,2-dioxaborolane
PubChem CID155982298
Molecular FormulaC15H25BO2
Molecular Weight248.17 g/mol
Exact Mass248.19
IUPAC Name4,4,5,5-tetramethyl-2-(spiro[2.5]octan-6-ylidenemethyl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(C=C2CCC3(CC2)CC3)OC1(C)C
InChIInChI=1S/C15H25BO2/c1-13(2)14(3,4)18-16(17-13)11-12-5-7-15(8-6-12)9-10-15/h11H,5-10H2,1-4H3
InChIKeyHSFMKZBMPJWDTD-UHFFFAOYSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-(spiro[2.5]octan-6-ylidenemethyl)-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(spiro[2.5]octan-6-ylidenemethyl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(spiro[2.5]octan-6-ylidenemethyl)-1,3,2-dioxaborolane (CID 155982298) is 4,4,5,5-tetramethyl-2-(spiro[2.5]octan-6-ylidenemethyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(spiro[2.5]octan-6-ylidenemethyl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(spiro[2.5]octan-6-ylidenemethyl)-1,3,2-dioxaborolane is CC1(C)OB(C=C2CCC3(CC2)CC3)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(spiro[2.5]octan-6-ylidenemethyl)-1,3,2-dioxaborolane?
The InChIKey is HSFMKZBMPJWDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BO2/c1-13(2)14(3,4)18-16(17-13)11-12-5-7-15(8-6-12)9-10-15/h11H,5-10H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(spiro[2.5]octan-6-ylidenemethyl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(spiro[2.5]octan-6-ylidenemethyl)-1,3,2-dioxaborolane has a molecular weight of 248.17 g/mol, XLogP of 3.90, 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-(spiro[2.5]octan-6-ylidenemethyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 155982298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).