4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane

C15H25BO4 — CID 140851039

IUPAC4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane
SMILESCC1C=C(B2OC(C)(C)C(C)(C)O2)CCC12OCCO2
InChIInChI=1S/C15H25BO4/c1-11-10-12(6-7-15(11)17-8-9-18-15)16-19-13(2,3)14(4,5)20-16/h10-11H,6-9H2,1-5H3
InChIKeyBTKJZSAQNSNEOO-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.72
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane (PubChem CID 140851039) has the molecular formula C15H25BO4 and a molecular weight of 280.17 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane
PubChem CID140851039
Molecular FormulaC15H25BO4
Molecular Weight280.17 g/mol
Exact Mass280.18
IUPAC Name4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane
SMILESCC1C=C(B2OC(C)(C)C(C)(C)O2)CCC12OCCO2
InChIInChI=1S/C15H25BO4/c1-11-10-12(6-7-15(11)17-8-9-18-15)16-19-13(2,3)14(4,5)20-16/h10-11H,6-9H2,1-5H3
InChIKeyBTKJZSAQNSNEOO-UHFFFAOYSA-N
XLogP2.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.72
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-(6-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-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

Related Compounds

8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro(4.5)dec-7-ene
CID 3697076
4,4,5,5-tetramethyl-2-[(Z)-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-enyl]-1,3,2-dioxaborolane
CID 176427260
2-(7,7-Difluoro-1,4-dioxaspiro[4.5]dec-8-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138110133
4,4,5,5-Tetramethyl-2-(6,6,10,10-tetrafluoro-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane
CID 138111764
2-(10,10-Difluoro-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138111849
1,4-Dioxaspiro[4.5]dec-7-en-8-yl-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid
CID 24820721
4,4,5,5-Tetramethyl-2-(1,4-dioxaspiro[4.5]dec-7-en-7-yl)-1,3,2-dioxaborolane
CID 45158874
8-(3,3,4,4-Tetramethylborolan-1-yl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 59541838
3-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-1,5,6-trimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexane
CID 68096734
2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane
CID 68572880
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro[4.5]dec-6-ene
CID 89963451
2-(1,4-Dioxaspiro[4.5]dec-7-en-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90460669

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane (CID 140851039) is 4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane is CC1C=C(B2OC(C)(C)C(C)(C)O2)CCC12OCCO2.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane?
The InChIKey is BTKJZSAQNSNEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BO4/c1-11-10-12(6-7-15(11)17-8-9-18-15)16-19-13(2,3)14(4,5)20-16/h10-11H,6-9H2,1-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(6-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane has a molecular weight of 280.17 g/mol, XLogP of 2.72, 1 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-(6-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 140851039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).