2,4,4,5-tetramethyl-5-propan-2-yloxy-1,3,2-dioxaborolane

C9H19BO3 — CID 123160464

IUPAC2,4,4,5-tetramethyl-5-propan-2-yloxy-1,3,2-dioxaborolane
SMILESCB1OC(C)(C)C(C)(OC(C)C)O1
InChIInChI=1S/C9H19BO3/c1-7(2)11-9(5)8(3,4)12-10(6)13-9/h7H,1-6H3
InChIKeyFPVDYYRYDYGJPK-UHFFFAOYSA-N
MW186.06 g/mol
LogP2.07
Rot. Bonds2

About 2,4,4,5-tetramethyl-5-propan-2-yloxy-1,3,2-dioxaborolane

2,4,4,5-tetramethyl-5-propan-2-yloxy-1,3,2-dioxaborolane (PubChem CID 123160464) has the molecular formula C9H19BO3 and a molecular weight of 186.06 g/mol. Its IUPAC name is 2,4,4,5-tetramethyl-5-propan-2-yloxy-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2,4,4,5-tetramethyl-5-propan-2-yloxy-1,3,2-dioxaborolane
PubChem CID123160464
Molecular FormulaC9H19BO3
Molecular Weight186.06 g/mol
Exact Mass186.14
IUPAC Name2,4,4,5-tetramethyl-5-propan-2-yloxy-1,3,2-dioxaborolane
SMILESCB1OC(C)(C)C(C)(OC(C)C)O1
InChIInChI=1S/C9H19BO3/c1-7(2)11-9(5)8(3,4)12-10(6)13-9/h7H,1-6H3
InChIKeyFPVDYYRYDYGJPK-UHFFFAOYSA-N
XLogP2.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.06
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-tetramethyl-5-propan-2-yloxy-1,3,2-dioxaborolane?
The IUPAC name of 2,4,4,5-tetramethyl-5-propan-2-yloxy-1,3,2-dioxaborolane (CID 123160464) is 2,4,4,5-tetramethyl-5-propan-2-yloxy-1,3,2-dioxaborolane.
What is the SMILES notation for 2,4,4,5-tetramethyl-5-propan-2-yloxy-1,3,2-dioxaborolane?
The canonical SMILES for 2,4,4,5-tetramethyl-5-propan-2-yloxy-1,3,2-dioxaborolane is CB1OC(C)(C)C(C)(OC(C)C)O1.
What is the InChIKey of 2,4,4,5-tetramethyl-5-propan-2-yloxy-1,3,2-dioxaborolane?
The InChIKey is FPVDYYRYDYGJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BO3/c1-7(2)11-9(5)8(3,4)12-10(6)13-9/h7H,1-6H3.
What are the key properties of 2,4,4,5-tetramethyl-5-propan-2-yloxy-1,3,2-dioxaborolane?
2,4,4,5-tetramethyl-5-propan-2-yloxy-1,3,2-dioxaborolane has a molecular weight of 186.06 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5-tetramethyl-5-propan-2-yloxy-1,3,2-dioxaborolane is sourced from PubChem (CID 123160464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).