4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(2-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane

C15H28B2O4 — CID 148602512

IUPAC4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(2-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane
SMILESCC1CC1C1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C15H28B2O4/c1-10-9-11(10)15(8)14(6,7)20-17(21-15)16-18-12(2,3)13(4,5)19-16/h10-11H,9H2,1-8H3
InChIKeyNCTYEMGTZFNSKO-UHFFFAOYSA-N
MW294.01 g/mol
LogP2.89
Rot. Bonds2

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

4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(2-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane (PubChem CID 148602512) has the molecular formula C15H28B2O4 and a molecular weight of 294.01 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(2-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(2-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane
PubChem CID148602512
Molecular FormulaC15H28B2O4
Molecular Weight294.01 g/mol
Exact Mass294.22
IUPAC Name4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(2-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane
SMILESCC1CC1C1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C15H28B2O4/c1-10-9-11(10)15(8)14(6,7)20-17(21-15)16-18-12(2,3)13(4,5)19-16/h10-11H,9H2,1-8H3
InChIKeyNCTYEMGTZFNSKO-UHFFFAOYSA-N
XLogP2.89
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.01
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(2-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(2-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane (CID 148602512) is 4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(2-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(2-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(2-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane is CC1CC1C1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(2-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane?
The InChIKey is NCTYEMGTZFNSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28B2O4/c1-10-9-11(10)15(8)14(6,7)20-17(21-15)16-18-12(2,3)13(4,5)19-16/h10-11H,9H2,1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(2-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(2-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane has a molecular weight of 294.01 g/mol, XLogP of 2.89, 2 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-[4,4,5-trimethyl-5-(2-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 148602512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).