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

C15H28B2O4 — CID 144569564

IUPAC4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(1-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane
SMILESCC1(C2(C)OB(B3OC(C)(C)C(C)(C)O3)OC2(C)C)CC1
InChIInChI=1S/C15H28B2O4/c1-11(2)12(3,4)19-16(18-11)17-20-13(5,6)15(8,21-17)14(7)9-10-14/h9-10H2,1-8H3
InChIKeyKVGPRSTVTGEARQ-UHFFFAOYSA-N
MW294.01 g/mol
LogP3.03
Rot. Bonds2

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

4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(1-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane (PubChem CID 144569564) 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-(1-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-(1-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane
PubChem CID144569564
Molecular FormulaC15H28B2O4
Molecular Weight294.01 g/mol
Exact Mass294.22
IUPAC Name4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(1-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane
SMILESCC1(C2(C)OB(B3OC(C)(C)C(C)(C)O3)OC2(C)C)CC1
InChIInChI=1S/C15H28B2O4/c1-11(2)12(3,4)19-16(18-11)17-20-13(5,6)15(8,21-17)14(7)9-10-14/h9-10H2,1-8H3
InChIKeyKVGPRSTVTGEARQ-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
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-(1-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-(1-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane (CID 144569564) is 4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(1-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-(1-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-(1-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane is CC1(C2(C)OB(B3OC(C)(C)C(C)(C)O3)OC2(C)C)CC1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(1-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane?
The InChIKey is KVGPRSTVTGEARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28B2O4/c1-11(2)12(3,4)19-16(18-11)17-20-13(5,6)15(8,21-17)14(7)9-10-14/h9-10H2,1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(1-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[4,4,5-trimethyl-5-(1-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane has a molecular weight of 294.01 g/mol, XLogP of 3.03, 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-(1-methylcyclopropyl)-1,3,2-dioxaborolan-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 144569564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).