(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)boronic acid

C14H21BO2 — CID 10353857

IUPAC(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)boronic acid
SMILESCC1(C)CCC(C)(C)c2cc(B(O)O)ccc21
InChIInChI=1S/C14H21BO2/c1-13(2)7-8-14(3,4)12-9-10(15(16)17)5-6-11(12)13/h5-6,9,16-17H,7-8H2,1-4H3
InChIKeyNXBNRLONOXGRCQ-UHFFFAOYSA-N
MW232.13 g/mol
LogP1.72
Rot. Bonds1

About (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)boronic acid

(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)boronic acid (PubChem CID 10353857) has the molecular formula C14H21BO2 and a molecular weight of 232.13 g/mol. Its IUPAC name is (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)boronic acid.

Molecular Properties

Compound Name(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)boronic acid
PubChem CID10353857
Molecular FormulaC14H21BO2
Molecular Weight232.13 g/mol
Exact Mass232.16
IUPAC Name(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)boronic acid
SMILESCC1(C)CCC(C)(C)c2cc(B(O)O)ccc21
InChIInChI=1S/C14H21BO2/c1-13(2)7-8-14(3,4)12-9-10(15(16)17)5-6-11(12)13/h5-6,9,16-17H,7-8H2,1-4H3
InChIKeyNXBNRLONOXGRCQ-UHFFFAOYSA-N
XLogP1.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.13
LogP ≤ 51.72
H-Bond Donors ≤ 52
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 (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)boronic acid?
The IUPAC name of (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)boronic acid (CID 10353857) is (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)boronic acid.
What is the SMILES notation for (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)boronic acid?
The canonical SMILES for (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)boronic acid is CC1(C)CCC(C)(C)c2cc(B(O)O)ccc21.
What is the InChIKey of (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)boronic acid?
The InChIKey is NXBNRLONOXGRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BO2/c1-13(2)7-8-14(3,4)12-9-10(15(16)17)5-6-11(12)13/h5-6,9,16-17H,7-8H2,1-4H3.
What are the key properties of (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)boronic acid?
(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)boronic acid has a molecular weight of 232.13 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)boronic acid is sourced from PubChem (CID 10353857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).