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

C20H38B2O5 — CID 176911863

IUPAC4,4,5,5-tetramethyl-2-[1-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(CCC(B2OC(C)(C)C(C)(C)O2)C2CCOCC2)OC1(C)C
InChIInChI=1S/C20H38B2O5/c1-17(2)18(3,4)25-21(24-17)12-9-16(15-10-13-23-14-11-15)22-26-19(5,6)20(7,8)27-22/h15-16H,9-14H2,1-8H3
InChIKeyLWWSCYDXIXNRAZ-UHFFFAOYSA-N
MW380.14 g/mol
LogP4.36
Rot. Bonds5

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

4,4,5,5-tetramethyl-2-[1-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane (PubChem CID 176911863) has the molecular formula C20H38B2O5 and a molecular weight of 380.14 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[1-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[1-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane
PubChem CID176911863
Molecular FormulaC20H38B2O5
Molecular Weight380.14 g/mol
Exact Mass380.29
IUPAC Name4,4,5,5-tetramethyl-2-[1-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(CCC(B2OC(C)(C)C(C)(C)O2)C2CCOCC2)OC1(C)C
InChIInChI=1S/C20H38B2O5/c1-17(2)18(3,4)25-21(24-17)12-9-16(15-10-13-23-14-11-15)22-26-19(5,6)20(7,8)27-22/h15-16H,9-14H2,1-8H3
InChIKeyLWWSCYDXIXNRAZ-UHFFFAOYSA-N
XLogP4.36
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.14
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-[1-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-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-[1-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[1-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane (CID 176911863) is 4,4,5,5-tetramethyl-2-[1-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[1-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[1-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane is CC1(C)OB(CCC(B2OC(C)(C)C(C)(C)O2)C2CCOCC2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[1-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane?
The InChIKey is LWWSCYDXIXNRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38B2O5/c1-17(2)18(3,4)25-21(24-17)12-9-16(15-10-13-23-14-11-15)22-26-19(5,6)20(7,8)27-22/h15-16H,9-14H2,1-8H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[1-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[1-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane has a molecular weight of 380.14 g/mol, XLogP of 4.36, 5 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-[1-(oxan-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 176911863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).