methane;4,4,5,5-tetramethyl-2-[3-(1-methylcyclohexyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane

C19H35BO2 — CID 164510842

About methane;4,4,5,5-tetramethyl-2-[3-(1-methylcyclohexyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane

methane;4,4,5,5-tetramethyl-2-[3-(1-methylcyclohexyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane (PubChem CID 164510842) has the molecular formula C19H35BO2 and a molecular weight of 306.30 g/mol. Its IUPAC name is methane;4,4,5,5-tetramethyl-2-[3-(1-methylcyclohexyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: methane;4,4,5,5-tetramethyl-2-[3-(1-methylcyclohexyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane
• PubChem CID: 164510842
• Molecular Formula: C19H35BO2
• Molecular Weight: 306.30 g/mol
• Exact Mass: 306.27
• IUPAC Name: methane;4,4,5,5-tetramethyl-2-[3-(1-methylcyclohexyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane
• SMILES: C.CC1(C23CC(B4OC(C)(C)C(C)(C)O4)(C2)C3)CCCCC1
• InChI: InChI=1S/C18H31BO2.CH4/c1-14(2)15(3,4)21-19(20-14)18-11-17(12-18,13-18)16(5)9-7-6-8-10-16;/h6-13H2,1-5H3;1H4
• InChIKey: GNAWSQPPSZSACM-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	306.30
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;4,4,5,5-tetramethyl-2-[3-(1-methylcyclohexyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane?

The IUPAC name of methane;4,4,5,5-tetramethyl-2-[3-(1-methylcyclohexyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane (CID 164510842) is methane;4,4,5,5-tetramethyl-2-[3-(1-methylcyclohexyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane.

What is the SMILES notation for methane;4,4,5,5-tetramethyl-2-[3-(1-methylcyclohexyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane?

The canonical SMILES for methane;4,4,5,5-tetramethyl-2-[3-(1-methylcyclohexyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane is C.CC1(C23CC(B4OC(C)(C)C(C)(C)O4)(C2)C3)CCCCC1.

What is the InChIKey of methane;4,4,5,5-tetramethyl-2-[3-(1-methylcyclohexyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane?

The InChIKey is GNAWSQPPSZSACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31BO2.CH4/c1-14(2)15(3,4)21-19(20-14)18-11-17(12-18,13-18)16(5)9-7-6-8-10-16;/h6-13H2,1-5H3;1H4.

What are the key properties of methane;4,4,5,5-tetramethyl-2-[3-(1-methylcyclohexyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane?

methane;4,4,5,5-tetramethyl-2-[3-(1-methylcyclohexyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane has a molecular weight of 306.30 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for methane;4,4,5,5-tetramethyl-2-[3-(1-methylcyclohexyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 164510842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).