4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane

C16H30B2O4 — CID 134904577

IUPAC4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane
SMILESC=C(CCB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H30B2O4/c1-12(18-21-15(6,7)16(8,9)22-18)10-11-17-19-13(2,3)14(4,5)20-17/h1,10-11H2,2-9H3
InChIKeyWORMXUQVGAPLGS-UHFFFAOYSA-N
MW308.04 g/mol
LogP3.66
Rot. Bonds4

About 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane (PubChem CID 134904577) has the molecular formula C16H30B2O4 and a molecular weight of 308.04 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane
PubChem CID134904577
Molecular FormulaC16H30B2O4
Molecular Weight308.04 g/mol
Exact Mass308.23
IUPAC Name4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane
SMILESC=C(CCB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H30B2O4/c1-12(18-21-15(6,7)16(8,9)22-18)10-11-17-19-13(2,3)14(4,5)20-17/h1,10-11H2,2-9H3
InChIKeyWORMXUQVGAPLGS-UHFFFAOYSA-N
XLogP3.66
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.04
LogP ≤ 53.66
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-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-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

4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-1,3,2-dioxaborolane
CID 11748396
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 11471561
(E)-N-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-imine
CID 101070806
4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-one
CID 10585312
5-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-3-one
CID 102235554
ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
CID 144582849
bromozinc(1+);4,4,5,5-tetramethyl-2-propyl-1,3,2-dioxaborolane
CID 135084480
2-(5-bromopentyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57431235
2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 170985239
N-prop-2-enyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine;hydrochloride
CID 146155084
(Z)-N-methoxy-4-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-imine
CID 10777378
2-(3,3-dimethylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15259989

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane (CID 134904577) is 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane is C=C(CCB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane?
The InChIKey is WORMXUQVGAPLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30B2O4/c1-12(18-21-15(6,7)16(8,9)22-18)10-11-17-19-13(2,3)14(4,5)20-17/h1,10-11H2,2-9H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane has a molecular weight of 308.04 g/mol, XLogP of 3.66, 4 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-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 134904577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).