4,4,5,5-tetramethyl-2-pentoxy-1,3,2-dioxaborolane

C11H23BO3 — CID 147911213

IUPAC4,4,5,5-tetramethyl-2-pentoxy-1,3,2-dioxaborolane
SMILESCCCCCOB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H23BO3/c1-6-7-8-9-13-12-14-10(2,3)11(4,5)15-12/h6-9H2,1-5H3
InChIKeyIGEAEAJIWNZUCW-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.78
Rot. Bonds5

About 4,4,5,5-tetramethyl-2-pentoxy-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-pentoxy-1,3,2-dioxaborolane (PubChem CID 147911213) has the molecular formula C11H23BO3 and a molecular weight of 214.11 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-pentoxy-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-pentoxy-1,3,2-dioxaborolane
PubChem CID147911213
Molecular FormulaC11H23BO3
Molecular Weight214.11 g/mol
Exact Mass214.17
IUPAC Name4,4,5,5-tetramethyl-2-pentoxy-1,3,2-dioxaborolane
SMILESCCCCCOB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H23BO3/c1-6-7-8-9-13-12-14-10(2,3)11(4,5)15-12/h6-9H2,1-5H3
InChIKeyIGEAEAJIWNZUCW-UHFFFAOYSA-N
XLogP2.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-pentoxy-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-pentoxy-1,3,2-dioxaborolane (CID 147911213) is 4,4,5,5-tetramethyl-2-pentoxy-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-pentoxy-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-pentoxy-1,3,2-dioxaborolane is CCCCCOB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-pentoxy-1,3,2-dioxaborolane?
The InChIKey is IGEAEAJIWNZUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BO3/c1-6-7-8-9-13-12-14-10(2,3)11(4,5)15-12/h6-9H2,1-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-pentoxy-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-pentoxy-1,3,2-dioxaborolane has a molecular weight of 214.11 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-pentoxy-1,3,2-dioxaborolane is sourced from PubChem (CID 147911213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).