2-[(6-methoxynaphthalen-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C18H23BO3 — CID 90016084

IUPAC2-[(6-methoxynaphthalen-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1ccc2cc(CB3OC(C)(C)C(C)(C)O3)ccc2c1
InChIInChI=1S/C18H23BO3/c1-17(2)18(3,4)22-19(21-17)12-13-6-7-15-11-16(20-5)9-8-14(15)10-13/h6-11H,12H2,1-5H3
InChIKeyHLJCBFVSZAZHSG-UHFFFAOYSA-N
MW298.19 g/mol
LogP4.02
Rot. Bonds3

About 2-[(6-methoxynaphthalen-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(6-methoxynaphthalen-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 90016084) has the molecular formula C18H23BO3 and a molecular weight of 298.19 g/mol. Its IUPAC name is 2-[(6-methoxynaphthalen-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(6-methoxynaphthalen-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID90016084
Molecular FormulaC18H23BO3
Molecular Weight298.19 g/mol
Exact Mass298.17
IUPAC Name2-[(6-methoxynaphthalen-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1ccc2cc(CB3OC(C)(C)C(C)(C)O3)ccc2c1
InChIInChI=1S/C18H23BO3/c1-17(2)18(3,4)22-19(21-17)12-13-6-7-15-11-16(20-5)9-8-14(15)10-13/h6-11H,12H2,1-5H3
InChIKeyHLJCBFVSZAZHSG-UHFFFAOYSA-N
XLogP4.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(6-methoxynaphthalen-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 90016084) is 2-[(6-methoxynaphthalen-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(6-methoxynaphthalen-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(6-methoxynaphthalen-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COc1ccc2cc(CB3OC(C)(C)C(C)(C)O3)ccc2c1.
What is the InChIKey of 2-[(6-methoxynaphthalen-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is HLJCBFVSZAZHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BO3/c1-17(2)18(3,4)22-19(21-17)12-13-6-7-15-11-16(20-5)9-8-14(15)10-13/h6-11H,12H2,1-5H3.
What are the key properties of 2-[(6-methoxynaphthalen-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(6-methoxynaphthalen-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 298.19 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxynaphthalen-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 90016084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).