(1,1,2,2-tetramethylacenaphthylen-4-yl)boronic acid

C16H19BO2 — CID 177264772

IUPAC(1,1,2,2-tetramethylacenaphthylen-4-yl)boronic acid
SMILESCC1(C)c2cccc3cc(B(O)O)cc(c23)C1(C)C
InChIInChI=1S/C16H19BO2/c1-15(2)12-7-5-6-10-8-11(17(18)19)9-13(14(10)12)16(15,3)4/h5-9,18-19H,1-4H3
InChIKeyCVBQCRVMTKVHTF-UHFFFAOYSA-N
MW254.14 g/mol
LogP2.09
Rot. Bonds1

About (1,1,2,2-tetramethylacenaphthylen-4-yl)boronic acid

(1,1,2,2-tetramethylacenaphthylen-4-yl)boronic acid (PubChem CID 177264772) has the molecular formula C16H19BO2 and a molecular weight of 254.14 g/mol. Its IUPAC name is (1,1,2,2-tetramethylacenaphthylen-4-yl)boronic acid.

Molecular Properties

Compound Name(1,1,2,2-tetramethylacenaphthylen-4-yl)boronic acid
PubChem CID177264772
Molecular FormulaC16H19BO2
Molecular Weight254.14 g/mol
Exact Mass254.15
IUPAC Name(1,1,2,2-tetramethylacenaphthylen-4-yl)boronic acid
SMILESCC1(C)c2cccc3cc(B(O)O)cc(c23)C1(C)C
InChIInChI=1S/C16H19BO2/c1-15(2)12-7-5-6-10-8-11(17(18)19)9-13(14(10)12)16(15,3)4/h5-9,18-19H,1-4H3
InChIKeyCVBQCRVMTKVHTF-UHFFFAOYSA-N
XLogP2.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-(1,1,2,2-tetramethylacenaphthylen-4-yl)-1,3,2-dioxaborolane
CID 177264639
(7,7-dimethylbenzo[a]phenalen-10-yl)boronic acid
CID 140780244
9-iodo-4,4,5,5-tetramethylpyrene
CID 176764650
2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene
CID 143109674
10,10,11,11-tetramethylpentacyclo[10.7.1.02,7.09,20.014,19]icosa-1(20),2,4,6,8,12,14,16,18-nonaene
CID 140684072
(7-borono-9,9-dimethylfluoren-2-yl)boronic acid
CID 24820467
spiro[benzo[a]phenalene-7,9'-fluorene]-10-ylboronic acid
CID 140780247
(9,9-dimethylthioxanthen-2-yl)boronic acid
CID 163509290
(9,9,10-trimethylacridin-2-yl)boronic acid
CID 161441175
(5-borono-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl)boronic acid
CID 154593081
ethane;phenylboronic acid
CID 54560949
(8-methylnaphthalen-2-yl)boronic acid
CID 118802367

Frequently Asked Questions

What is the IUPAC name of (1,1,2,2-tetramethylacenaphthylen-4-yl)boronic acid?
The IUPAC name of (1,1,2,2-tetramethylacenaphthylen-4-yl)boronic acid (CID 177264772) is (1,1,2,2-tetramethylacenaphthylen-4-yl)boronic acid.
What is the SMILES notation for (1,1,2,2-tetramethylacenaphthylen-4-yl)boronic acid?
The canonical SMILES for (1,1,2,2-tetramethylacenaphthylen-4-yl)boronic acid is CC1(C)c2cccc3cc(B(O)O)cc(c23)C1(C)C.
What is the InChIKey of (1,1,2,2-tetramethylacenaphthylen-4-yl)boronic acid?
The InChIKey is CVBQCRVMTKVHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BO2/c1-15(2)12-7-5-6-10-8-11(17(18)19)9-13(14(10)12)16(15,3)4/h5-9,18-19H,1-4H3.
What are the key properties of (1,1,2,2-tetramethylacenaphthylen-4-yl)boronic acid?
(1,1,2,2-tetramethylacenaphthylen-4-yl)boronic acid has a molecular weight of 254.14 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,2,2-tetramethylacenaphthylen-4-yl)boronic acid is sourced from PubChem (CID 177264772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).