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

C17H29BO2 — CID 155930629

IUPAC4,4,5,5-tetramethyl-2-(2-methyl-2-adamantyl)-1,3,2-dioxaborolane
SMILESCC1(B2OC(C)(C)C(C)(C)O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H29BO2/c1-15(2)16(3,4)20-18(19-15)17(5)13-7-11-6-12(9-13)10-14(17)8-11/h11-14H,6-10H2,1-5H3
InChIKeyXOKUESDMTGHNCJ-UHFFFAOYSA-N
MW276.23 g/mol
LogP4.30
Rot. Bonds1

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

4,4,5,5-tetramethyl-2-(2-methyl-2-adamantyl)-1,3,2-dioxaborolane (PubChem CID 155930629) has the molecular formula C17H29BO2 and a molecular weight of 276.23 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(2-methyl-2-adamantyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(2-methyl-2-adamantyl)-1,3,2-dioxaborolane
PubChem CID155930629
Molecular FormulaC17H29BO2
Molecular Weight276.23 g/mol
Exact Mass276.23
IUPAC Name4,4,5,5-tetramethyl-2-(2-methyl-2-adamantyl)-1,3,2-dioxaborolane
SMILESCC1(B2OC(C)(C)C(C)(C)O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H29BO2/c1-15(2)16(3,4)20-18(19-15)17(5)13-7-11-6-12(9-13)10-14(17)8-11/h11-14H,6-10H2,1-5H3
InChIKeyXOKUESDMTGHNCJ-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyladamantane;ethane
CID 91483373
2-ethyl-2-methyladamantane
CID 21349236
4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclooctyl]-1,3,2-dioxaborolane
CID 154713253
bis(2-methyl-2-adamantyl)diazene
CID 134985564
4,4,5,5-tetramethyl-2-[(1R,6R)-3-oxabicyclo[4.1.0]heptan-6-yl]-1,3,2-dioxaborolane
CID 155978457
2'-methylspiro[adamantane-2,3'-oxaziridine]
CID 12693707
(E)-2-methyl-3-(2-methyl-2-adamantyl)prop-2-enoate
CID 73425554
4,4,5,5-tetramethyl-2-(3-oxabicyclo[4.1.0]heptan-1-yl)-1,3,2-dioxaborolane
CID 163409797
adamantane;ethane
CID 90892828
2-(1-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155973440
2-(1-bicyclo[2.2.1]hept-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 141481605
2-(7,7-difluoro-3-oxabicyclo[4.1.0]heptan-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171713567

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(2-methyl-2-adamantyl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(2-methyl-2-adamantyl)-1,3,2-dioxaborolane (CID 155930629) is 4,4,5,5-tetramethyl-2-(2-methyl-2-adamantyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(2-methyl-2-adamantyl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(2-methyl-2-adamantyl)-1,3,2-dioxaborolane is CC1(B2OC(C)(C)C(C)(C)O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(2-methyl-2-adamantyl)-1,3,2-dioxaborolane?
The InChIKey is XOKUESDMTGHNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BO2/c1-15(2)16(3,4)20-18(19-15)17(5)13-7-11-6-12(9-13)10-14(17)8-11/h11-14H,6-10H2,1-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(2-methyl-2-adamantyl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(2-methyl-2-adamantyl)-1,3,2-dioxaborolane has a molecular weight of 276.23 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(2-methyl-2-adamantyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 155930629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).