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

C18H31BO2 — CID 155930631

IUPAC2-[2-(1-adamantyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CCC23CC4CC(CC(C4)C2)C3)OC1(C)C
InChIInChI=1S/C18H31BO2/c1-16(2)17(3,4)21-19(20-16)6-5-18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,5-12H2,1-4H3
InChIKeyVMUFGHMUZIXSGR-UHFFFAOYSA-N
MW290.26 g/mol
LogP4.69
Rot. Bonds3

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

2-[2-(1-adamantyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 155930631) has the molecular formula C18H31BO2 and a molecular weight of 290.26 g/mol. Its IUPAC name is 2-[2-(1-adamantyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2-(1-adamantyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID155930631
Molecular FormulaC18H31BO2
Molecular Weight290.26 g/mol
Exact Mass290.24
IUPAC Name2-[2-(1-adamantyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CCC23CC4CC(CC(C4)C2)C3)OC1(C)C
InChIInChI=1S/C18H31BO2/c1-16(2)17(3,4)21-19(20-16)6-5-18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,5-12H2,1-4H3
InChIKeyVMUFGHMUZIXSGR-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(1-adamantyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Adamantan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134950808
2-((1r,3r,5r,7r)-Adamantan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102452307
2-((1S)-1-((1r,3R,5S)-adamantan-1-yl)hexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154585600
4,4,5,5-Tetramethyl-2-(2-methyl-2-adamantyl)-1,3,2-dioxaborolane
CID 155930629
2-(3-(Adamantan-1-yl)bicyclo[1.1.1]pentan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164510807
2-[2-(1-Adamantyl)-1-fluoroprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171113335
4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-adamantyl]-1,3,2-dioxaborolane
CID 89459032
2-[2-(3,3-Dimethylcyclohexyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145395442
2-(1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-Hexadecahydropyren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145817339
2-[4-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-Tetradecahydroanthracen-9-yl)cyclohexyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145817342
4,4,5,5-Tetramethyl-2-(4-methyl-1-bicyclo[2.2.2]octanyl)-1,3,2-dioxaborolane
CID 153315412
4,4,5,5-Tetramethyl-2-(4-pentyl-1-bicyclo[2.2.2]octanyl)-1,3,2-dioxaborolane
CID 169546517

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-adamantyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[2-(1-adamantyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 155930631) is 2-[2-(1-adamantyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2-(1-adamantyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2-(1-adamantyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(CCC23CC4CC(CC(C4)C2)C3)OC1(C)C.
What is the InChIKey of 2-[2-(1-adamantyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is VMUFGHMUZIXSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31BO2/c1-16(2)17(3,4)21-19(20-16)6-5-18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,5-12H2,1-4H3.
What are the key properties of 2-[2-(1-adamantyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[2-(1-adamantyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 290.26 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-adamantyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 155930631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).