2-[(1E,3E)-2,3-dicyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C26H44B2O4 — CID 100970793

IUPAC2-[(1E,3E)-2,3-dicyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C(C(=C/B2OC(C)(C)C(C)(C)O2)/C2CCCC2)\C2CCCC2)OC1(C)C
InChIInChI=1S/C26H44B2O4/c1-23(2)24(3,4)30-27(29-23)17-21(19-13-9-10-14-19)22(20-15-11-12-16-20)18-28-31-25(5,6)26(7,8)32-28/h17-20H,9-16H2,1-8H3/b21-17+,22-18+
InChIKeyUZUQNDQONQLYBX-KSTNYAOJSA-N
MW442.26 g/mol
LogP6.48
Rot. Bonds5

About 2-[(1E,3E)-2,3-dicyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(1E,3E)-2,3-dicyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 100970793) has the molecular formula C26H44B2O4 and a molecular weight of 442.26 g/mol. Its IUPAC name is 2-[(1E,3E)-2,3-dicyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(1E,3E)-2,3-dicyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID100970793
Molecular FormulaC26H44B2O4
Molecular Weight442.26 g/mol
Exact Mass442.34
IUPAC Name2-[(1E,3E)-2,3-dicyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C(C(=C/B2OC(C)(C)C(C)(C)O2)/C2CCCC2)\C2CCCC2)OC1(C)C
InChIInChI=1S/C26H44B2O4/c1-23(2)24(3,4)30-27(29-23)17-21(19-13-9-10-14-19)22(20-15-11-12-16-20)18-28-31-25(5,6)26(7,8)32-28/h17-20H,9-16H2,1-8H3/b21-17+,22-18+
InChIKeyUZUQNDQONQLYBX-KSTNYAOJSA-N
XLogP6.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.26
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(1E,3E)-2,3-dicyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-4,4,5,5-tetramethyl-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

2-[(1E,3E)-1,3-dicyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15247767
2-[1-Cyclopentyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134903894
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
2-[(Z)-3-cyclopentyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 135001530
4,4,5,5-tetramethyl-2-[(E)-[2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclopentylidene]methyl]-1,3,2-dioxaborolane
CID 10593807
4,4,5,5-tetramethyl-2-[1-[(1R,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclooctyl]ethenyl]-1,3,2-dioxaborolane
CID 10992777

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E)-2,3-dicyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(1E,3E)-2,3-dicyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 100970793) is 2-[(1E,3E)-2,3-dicyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(1E,3E)-2,3-dicyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(1E,3E)-2,3-dicyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(/C=C(C(=C/B2OC(C)(C)C(C)(C)O2)/C2CCCC2)\C2CCCC2)OC1(C)C.
What is the InChIKey of 2-[(1E,3E)-2,3-dicyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is UZUQNDQONQLYBX-KSTNYAOJSA-N. The full InChI is InChI=1S/C26H44B2O4/c1-23(2)24(3,4)30-27(29-23)17-21(19-13-9-10-14-19)22(20-15-11-12-16-20)18-28-31-25(5,6)26(7,8)32-28/h17-20H,9-16H2,1-8H3/b21-17+,22-18+.
What are the key properties of 2-[(1E,3E)-2,3-dicyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(1E,3E)-2,3-dicyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 442.26 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E)-2,3-dicyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 100970793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).