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

C17H34B2O5 — CID 11954732

IUPAC4,4,5,5-tetramethyl-2-[1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]pentyl]-1,3,2-dioxaborolane
SMILESCCCCC(OB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H34B2O5/c1-10-11-12-13(18-21-14(2,3)15(4,5)22-18)20-19-23-16(6,7)17(8,9)24-19/h13H,10-12H2,1-9H3
InChIKeyYGKGNNIMYRKLTQ-UHFFFAOYSA-N
MW340.08 g/mol
LogP3.78
Rot. Bonds6

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

4,4,5,5-tetramethyl-2-[1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]pentyl]-1,3,2-dioxaborolane (PubChem CID 11954732) has the molecular formula C17H34B2O5 and a molecular weight of 340.08 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]pentyl]-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)oxy]pentyl]-1,3,2-dioxaborolane
PubChem CID11954732
Molecular FormulaC17H34B2O5
Molecular Weight340.08 g/mol
Exact Mass340.26
IUPAC Name4,4,5,5-tetramethyl-2-[1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]pentyl]-1,3,2-dioxaborolane
SMILESCCCCC(OB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H34B2O5/c1-10-11-12-13(18-21-14(2,3)15(4,5)22-18)20-19-23-16(6,7)17(8,9)24-19/h13H,10-12H2,1-9H3
InChIKeyYGKGNNIMYRKLTQ-UHFFFAOYSA-N
XLogP3.78
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.08
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)oxy]pentyl]-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)oxy]pentyl]-1,3,2-dioxaborolane (CID 11954732) is 4,4,5,5-tetramethyl-2-[1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]pentyl]-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)oxy]pentyl]-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)oxy]pentyl]-1,3,2-dioxaborolane is CCCCC(OB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]pentyl]-1,3,2-dioxaborolane?
The InChIKey is YGKGNNIMYRKLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34B2O5/c1-10-11-12-13(18-21-14(2,3)15(4,5)22-18)20-19-23-16(6,7)17(8,9)24-19/h13H,10-12H2,1-9H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]pentyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]pentyl]-1,3,2-dioxaborolane has a molecular weight of 340.08 g/mol, XLogP of 3.78, 6 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-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]pentyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 11954732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).