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

C16H30B2O5 — CID 101353112

IUPAC4,4,5,5-tetramethyl-2-[(Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]oxy-1,3,2-dioxaborolane
SMILESC/C(=C/CB1OC(C)(C)C(C)(C)O1)OB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H30B2O5/c1-12(19-18-22-15(6,7)16(8,9)23-18)10-11-17-20-13(2,3)14(4,5)21-17/h10H,11H2,1-9H3/b12-10-
InChIKeyXAVXELZTYFKYQO-BENRWUELSA-N
MW324.04 g/mol
LogP3.59
Rot. Bonds4

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

4,4,5,5-tetramethyl-2-[(Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]oxy-1,3,2-dioxaborolane (PubChem CID 101353112) has the molecular formula C16H30B2O5 and a molecular weight of 324.04 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]oxy-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]oxy-1,3,2-dioxaborolane
PubChem CID101353112
Molecular FormulaC16H30B2O5
Molecular Weight324.04 g/mol
Exact Mass324.23
IUPAC Name4,4,5,5-tetramethyl-2-[(Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]oxy-1,3,2-dioxaborolane
SMILESC/C(=C/CB1OC(C)(C)C(C)(C)O1)OB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H30B2O5/c1-12(19-18-22-15(6,7)16(8,9)23-18)10-11-17-20-13(2,3)14(4,5)21-17/h10H,11H2,1-9H3/b12-10-
InChIKeyXAVXELZTYFKYQO-BENRWUELSA-N
XLogP3.59
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.04
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4,4,5,5-tetramethyl-2-[(Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]oxy-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]oxy-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]oxy-1,3,2-dioxaborolane (CID 101353112) is 4,4,5,5-tetramethyl-2-[(Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]oxy-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]oxy-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]oxy-1,3,2-dioxaborolane is C/C(=C/CB1OC(C)(C)C(C)(C)O1)OB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]oxy-1,3,2-dioxaborolane?
The InChIKey is XAVXELZTYFKYQO-BENRWUELSA-N. The full InChI is InChI=1S/C16H30B2O5/c1-12(19-18-22-15(6,7)16(8,9)23-18)10-11-17-20-13(2,3)14(4,5)21-17/h10H,11H2,1-9H3/b12-10-.
What are the key properties of 4,4,5,5-tetramethyl-2-[(Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]oxy-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]oxy-1,3,2-dioxaborolane has a molecular weight of 324.04 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-en-2-yl]oxy-1,3,2-dioxaborolane is sourced from PubChem (CID 101353112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).