2,4,4,5,5-pentamethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane

C13H27B2O4- — CID 134862516

IUPAC2,4,4,5,5-pentamethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane
SMILESC[B-]1(B2OC(C)(C)C(C)(C)O2)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H27B2O4/c1-10(2)11(3,4)17-14(16-10)15(9)18-12(5,6)13(7,8)19-15/h1-9H3/q-1
InChIKeyGJMCOJZUSOXMPV-UHFFFAOYSA-N
MW268.98 g/mol
LogP2.83
Rot. Bonds1

About 2,4,4,5,5-pentamethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane

2,4,4,5,5-pentamethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane (PubChem CID 134862516) has the molecular formula C13H27B2O4- and a molecular weight of 268.98 g/mol. Its IUPAC name is 2,4,4,5,5-pentamethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane.

Molecular Properties

Compound Name2,4,4,5,5-pentamethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane
PubChem CID134862516
Molecular FormulaC13H27B2O4-
Molecular Weight268.98 g/mol
Exact Mass269.21
IUPAC Name2,4,4,5,5-pentamethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane
SMILESC[B-]1(B2OC(C)(C)C(C)(C)O2)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H27B2O4/c1-10(2)11(3,4)17-14(16-10)15(9)18-12(5,6)13(7,8)19-15/h1-9H3/q-1
InChIKeyGJMCOJZUSOXMPV-UHFFFAOYSA-N
XLogP2.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.98
LogP ≤ 52.83
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 2,4,4,5,5-pentamethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane?
The IUPAC name of 2,4,4,5,5-pentamethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane (CID 134862516) is 2,4,4,5,5-pentamethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane.
What is the SMILES notation for 2,4,4,5,5-pentamethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane?
The canonical SMILES for 2,4,4,5,5-pentamethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane is C[B-]1(B2OC(C)(C)C(C)(C)O2)OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2,4,4,5,5-pentamethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane?
The InChIKey is GJMCOJZUSOXMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27B2O4/c1-10(2)11(3,4)17-14(16-10)15(9)18-12(5,6)13(7,8)19-15/h1-9H3/q-1.
What are the key properties of 2,4,4,5,5-pentamethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane?
2,4,4,5,5-pentamethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane has a molecular weight of 268.98 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5,5-pentamethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane is sourced from PubChem (CID 134862516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).