2-(cyclobutylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C11H21BO2 — CID 102198915

IUPAC2-(cyclobutylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CC2CCC2)OC1(C)C
InChIInChI=1S/C11H21BO2/c1-10(2)11(3,4)14-12(13-10)8-9-6-5-7-9/h9H,5-8H2,1-4H3
InChIKeyKAOGTTNKADLLPW-UHFFFAOYSA-N
MW196.10 g/mol
LogP2.88
Rot. Bonds2

About 2-(cyclobutylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(cyclobutylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 102198915) has the molecular formula C11H21BO2 and a molecular weight of 196.10 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID102198915
Molecular FormulaC11H21BO2
Molecular Weight196.10 g/mol
Exact Mass196.16
IUPAC Name2-(cyclobutylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CC2CCC2)OC1(C)C
InChIInChI=1S/C11H21BO2/c1-10(2)11(3,4)14-12(13-10)8-9-6-5-7-9/h9H,5-8H2,1-4H3
InChIKeyKAOGTTNKADLLPW-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(cyclobutylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(cyclobutylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 102198915) is 2-(cyclobutylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(cyclobutylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(cyclobutylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(CC2CCC2)OC1(C)C.
What is the InChIKey of 2-(cyclobutylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is KAOGTTNKADLLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BO2/c1-10(2)11(3,4)14-12(13-10)8-9-6-5-7-9/h9H,5-8H2,1-4H3.
What are the key properties of 2-(cyclobutylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(cyclobutylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 196.10 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 102198915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).