2-[4-(methoxymethoxy)-6-methylnaphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C19H25BO4 — CID 170902239

IUPAC2-[4-(methoxymethoxy)-6-methylnaphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCOc1cc(B2OC(C)(C)C(C)(C)O2)cc2ccc(C)cc12
InChIInChI=1S/C19H25BO4/c1-13-7-8-14-10-15(11-17(16(14)9-13)22-12-21-6)20-23-18(2,3)19(4,5)24-20/h7-11H,12H2,1-6H3
InChIKeyWTXUFEJCSXMYQT-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.43
Rot. Bonds4

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

2-[4-(methoxymethoxy)-6-methylnaphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 170902239) has the molecular formula C19H25BO4 and a molecular weight of 328.22 g/mol. Its IUPAC name is 2-[4-(methoxymethoxy)-6-methylnaphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[4-(methoxymethoxy)-6-methylnaphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID170902239
Molecular FormulaC19H25BO4
Molecular Weight328.22 g/mol
Exact Mass328.18
IUPAC Name2-[4-(methoxymethoxy)-6-methylnaphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCOc1cc(B2OC(C)(C)C(C)(C)O2)cc2ccc(C)cc12
InChIInChI=1S/C19H25BO4/c1-13-7-8-14-10-15(11-17(16(14)9-13)22-12-21-6)20-23-18(2,3)19(4,5)24-20/h7-11H,12H2,1-6H3
InChIKeyWTXUFEJCSXMYQT-UHFFFAOYSA-N
XLogP3.43
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-(methoxymethoxy)-3-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66730510
2-[2-ethyl-6-(methoxymethoxy)-4-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170787716
2-(methoxymethoxy)-1-[2-(methoxymethoxy)-6-methylnaphthalen-1-yl]-6-methylnaphthalene
CID 142064515
2-[2-(2-methoxyethoxy)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 79662747
4,4,5,5-tetramethyl-2-[5-methyl-8,11-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)perylen-2-yl]-1,3,2-dioxaborolane
CID 89063635
2-[6-butoxy-5-[2-butoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 160905440
2-(2-ethoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138987094
2-(4-methoxy-3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11288475
4,4,5,5-tetramethyl-2-pyren-2-yl-1,3,2-dioxaborolane
CID 139146026
5-[3-(methoxymethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methylpyridine
CID 175852568
6-(methoxymethoxy)-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 162432959
7-(methoxymethoxy)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
CID 166586259

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethoxy)-6-methylnaphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[4-(methoxymethoxy)-6-methylnaphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 170902239) is 2-[4-(methoxymethoxy)-6-methylnaphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[4-(methoxymethoxy)-6-methylnaphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[4-(methoxymethoxy)-6-methylnaphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COCOc1cc(B2OC(C)(C)C(C)(C)O2)cc2ccc(C)cc12.
What is the InChIKey of 2-[4-(methoxymethoxy)-6-methylnaphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is WTXUFEJCSXMYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BO4/c1-13-7-8-14-10-15(11-17(16(14)9-13)22-12-21-6)20-23-18(2,3)19(4,5)24-20/h7-11H,12H2,1-6H3.
What are the key properties of 2-[4-(methoxymethoxy)-6-methylnaphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[4-(methoxymethoxy)-6-methylnaphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 328.22 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethoxy)-6-methylnaphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 170902239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).