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

C20H38B2O4 — CID 154713253

IUPAC4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclooctyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2(B3OC(C)(C)C(C)(C)O3)CCCCCCC2)OC1(C)C
InChIInChI=1S/C20H38B2O4/c1-16(2)17(3,4)24-21(23-16)20(14-12-10-9-11-13-15-20)22-25-18(5,6)19(7,8)26-22/h9-15H2,1-8H3
InChIKeyMRAOGILUYZCLTB-UHFFFAOYSA-N
MW364.14 g/mol
LogP5.19
Rot. Bonds2

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

4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclooctyl]-1,3,2-dioxaborolane (PubChem CID 154713253) has the molecular formula C20H38B2O4 and a molecular weight of 364.14 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclooctyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclooctyl]-1,3,2-dioxaborolane
PubChem CID154713253
Molecular FormulaC20H38B2O4
Molecular Weight364.14 g/mol
Exact Mass364.30
IUPAC Name4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclooctyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2(B3OC(C)(C)C(C)(C)O3)CCCCCCC2)OC1(C)C
InChIInChI=1S/C20H38B2O4/c1-16(2)17(3,4)24-21(23-16)20(14-12-10-9-11-13-15-20)22-25-18(5,6)19(7,8)26-22/h9-15H2,1-8H3
InChIKeyMRAOGILUYZCLTB-UHFFFAOYSA-N
XLogP5.19
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.14
LogP ≤ 55.19
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-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclooctyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclooctyl]-1,3,2-dioxaborolane (CID 154713253) is 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclooctyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclooctyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclooctyl]-1,3,2-dioxaborolane is CC1(C)OB(C2(B3OC(C)(C)C(C)(C)O3)CCCCCCC2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclooctyl]-1,3,2-dioxaborolane?
The InChIKey is MRAOGILUYZCLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38B2O4/c1-16(2)17(3,4)24-21(23-16)20(14-12-10-9-11-13-15-20)22-25-18(5,6)19(7,8)26-22/h9-15H2,1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclooctyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclooctyl]-1,3,2-dioxaborolane has a molecular weight of 364.14 g/mol, XLogP of 5.19, 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-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclooctyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 154713253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).