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

C12H23BO2 — CID 15260005

IUPAC2-(cyclopentylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CC2CCCC2)OC1(C)C
InChIInChI=1S/C12H23BO2/c1-11(2)12(3,4)15-13(14-11)9-10-7-5-6-8-10/h10H,5-9H2,1-4H3
InChIKeyTZYFVFXOXYSETL-UHFFFAOYSA-N
MW210.13 g/mol
LogP3.27
Rot. Bonds2

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

2-(cyclopentylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 15260005) has the molecular formula C12H23BO2 and a molecular weight of 210.13 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID15260005
Molecular FormulaC12H23BO2
Molecular Weight210.13 g/mol
Exact Mass210.18
IUPAC Name2-(cyclopentylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CC2CCCC2)OC1(C)C
InChIInChI=1S/C12H23BO2/c1-11(2)12(3,4)15-13(14-11)9-10-7-5-6-8-10/h10H,5-9H2,1-4H3
InChIKeyTZYFVFXOXYSETL-UHFFFAOYSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 53.27
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-(cyclopentylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(cyclopentylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 15260005) is 2-(cyclopentylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(cyclopentylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(cyclopentylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(CC2CCCC2)OC1(C)C.
What is the InChIKey of 2-(cyclopentylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is TZYFVFXOXYSETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BO2/c1-11(2)12(3,4)15-13(14-11)9-10-7-5-6-8-10/h10H,5-9H2,1-4H3.
What are the key properties of 2-(cyclopentylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(cyclopentylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 210.13 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 15260005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).