ethoxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane

C11H24B2O4 — CID 123236906

IUPACethoxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
SMILESCCOB(OC(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H24B2O4/c1-8-14-12(15-9(2)3)13-16-10(4,5)11(6,7)17-13/h9H,8H2,1-7H3
InChIKeyHCZAFIVMIJMXHK-UHFFFAOYSA-N
MW241.93 g/mol
LogP2.11
Rot. Bonds5

About ethoxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane

ethoxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane (PubChem CID 123236906) has the molecular formula C11H24B2O4 and a molecular weight of 241.93 g/mol. Its IUPAC name is ethoxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane.

Molecular Properties

Compound Nameethoxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
PubChem CID123236906
Molecular FormulaC11H24B2O4
Molecular Weight241.93 g/mol
Exact Mass242.19
IUPAC Nameethoxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane
SMILESCCOB(OC(C)C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H24B2O4/c1-8-14-12(15-9(2)3)13-16-10(4,5)11(6,7)17-13/h9H,8H2,1-7H3
InChIKeyHCZAFIVMIJMXHK-UHFFFAOYSA-N
XLogP2.11
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.93
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 5017741
2-Ethoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12727575
4,4,4',4',5,5,5'-Heptamethyl-2,2'-bi(1,3,2-dioxaborolane)
CID 21036220
2-(1,3,2-Dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 53906093
2-Methoxy-4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dioxa-2-boranuidacyclopentane
CID 122232341
2-(2,3-Dimethylbutan-2-yloxy)-4,5-dimethyl-1,3,2-dioxaborolane
CID 134889737
4,4,4',4',5,5'-Hexamethyl-2,2'-bi-1,3,2-dioxaborolane
CID 18673250
CID 57922280
CID 57922280
4,4,5,5-Tetramethyl-2-propoxy-1,3,2-dioxaborolane
CID 57983867
4,4,5-Trimethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
CID 58323993
2-[(4,5-Dimethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 58354488
4,4,5,5-Tetramethyl-2-[(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
CID 58446372

Frequently Asked Questions

What is the IUPAC name of ethoxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?
The IUPAC name of ethoxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane (CID 123236906) is ethoxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane.
What is the SMILES notation for ethoxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?
The canonical SMILES for ethoxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane is CCOB(OC(C)C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of ethoxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?
The InChIKey is HCZAFIVMIJMXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24B2O4/c1-8-14-12(15-9(2)3)13-16-10(4,5)11(6,7)17-13/h9H,8H2,1-7H3.
What are the key properties of ethoxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane?
ethoxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane has a molecular weight of 241.93 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-propan-2-yloxy-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)borane is sourced from PubChem (CID 123236906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).