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

C16H27BO2 — CID 102452307

IUPAC2-(2-adamantyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2C3CC4CC(C3)CC2C4)OC1(C)C
InChIInChI=1S/C16H27BO2/c1-15(2)16(3,4)19-17(18-15)14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,5-9H2,1-4H3
InChIKeyLKWTXDMOVNQZQJ-UHFFFAOYSA-N
MW262.20 g/mol
LogP3.90
Rot. Bonds1

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

2-(2-adamantyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 102452307) has the molecular formula C16H27BO2 and a molecular weight of 262.20 g/mol. Its IUPAC name is 2-(2-adamantyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-adamantyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID102452307
Molecular FormulaC16H27BO2
Molecular Weight262.20 g/mol
Exact Mass262.21
IUPAC Name2-(2-adamantyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2C3CC4CC(C3)CC2C4)OC1(C)C
InChIInChI=1S/C16H27BO2/c1-15(2)16(3,4)19-17(18-15)14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,5-9H2,1-4H3
InChIKeyLKWTXDMOVNQZQJ-UHFFFAOYSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 53.90
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-(2-adamantyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-adamantyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 102452307) is 2-(2-adamantyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-adamantyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-adamantyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2C3CC4CC(C3)CC2C4)OC1(C)C.
What is the InChIKey of 2-(2-adamantyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LKWTXDMOVNQZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BO2/c1-15(2)16(3,4)19-17(18-15)14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,5-9H2,1-4H3.
What are the key properties of 2-(2-adamantyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2-adamantyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 262.20 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 102452307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).