ethane;4,4,5,5-tetramethyl-2-propoxy-1,3,2-dioxaborolane

C11H25BO3 — CID 145269779

IUPACethane;4,4,5,5-tetramethyl-2-propoxy-1,3,2-dioxaborolane
SMILESCC.CCCOB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H19BO3.C2H6/c1-6-7-11-10-12-8(2,3)9(4,5)13-10;1-2/h6-7H2,1-5H3;1-2H3
InChIKeyAXEJONUCTKVVCJ-UHFFFAOYSA-N
MW216.13 g/mol
LogP3.03
Rot. Bonds3

About ethane;4,4,5,5-tetramethyl-2-propoxy-1,3,2-dioxaborolane

ethane;4,4,5,5-tetramethyl-2-propoxy-1,3,2-dioxaborolane (PubChem CID 145269779) has the molecular formula C11H25BO3 and a molecular weight of 216.13 g/mol. Its IUPAC name is ethane;4,4,5,5-tetramethyl-2-propoxy-1,3,2-dioxaborolane.

Molecular Properties

Compound Nameethane;4,4,5,5-tetramethyl-2-propoxy-1,3,2-dioxaborolane
PubChem CID145269779
Molecular FormulaC11H25BO3
Molecular Weight216.13 g/mol
Exact Mass216.19
IUPAC Nameethane;4,4,5,5-tetramethyl-2-propoxy-1,3,2-dioxaborolane
SMILESCC.CCCOB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H19BO3.C2H6/c1-6-7-11-10-12-8(2,3)9(4,5)13-10;1-2/h6-7H2,1-5H3;1-2H3
InChIKeyAXEJONUCTKVVCJ-UHFFFAOYSA-N
XLogP3.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.13
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;4,4,5,5-tetramethyl-2-propoxy-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;4,4,5,5-tetramethyl-2-propoxy-1,3,2-dioxaborolane?
The IUPAC name of ethane;4,4,5,5-tetramethyl-2-propoxy-1,3,2-dioxaborolane (CID 145269779) is ethane;4,4,5,5-tetramethyl-2-propoxy-1,3,2-dioxaborolane.
What is the SMILES notation for ethane;4,4,5,5-tetramethyl-2-propoxy-1,3,2-dioxaborolane?
The canonical SMILES for ethane;4,4,5,5-tetramethyl-2-propoxy-1,3,2-dioxaborolane is CC.CCCOB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of ethane;4,4,5,5-tetramethyl-2-propoxy-1,3,2-dioxaborolane?
The InChIKey is AXEJONUCTKVVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BO3.C2H6/c1-6-7-11-10-12-8(2,3)9(4,5)13-10;1-2/h6-7H2,1-5H3;1-2H3.
What are the key properties of ethane;4,4,5,5-tetramethyl-2-propoxy-1,3,2-dioxaborolane?
ethane;4,4,5,5-tetramethyl-2-propoxy-1,3,2-dioxaborolane has a molecular weight of 216.13 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,4,5,5-tetramethyl-2-propoxy-1,3,2-dioxaborolane is sourced from PubChem (CID 145269779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).