2-[2-(methoxymethoxy)-1H-naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C18H25BO4 — CID 142219388

IUPAC2-[2-(methoxymethoxy)-1H-naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCOC1(B2OC(C)(C)C(C)(C)O2)C=Cc2ccccc2C1
InChIInChI=1S/C18H25BO4/c1-16(2)17(3,4)23-19(22-16)18(21-13-20-5)11-10-14-8-6-7-9-15(14)12-18/h6-11H,12-13H2,1-5H3
InChIKeyOEOPOUFYJIXZAL-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.25
Rot. Bonds4

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

2-[2-(methoxymethoxy)-1H-naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 142219388) has the molecular formula C18H25BO4 and a molecular weight of 316.21 g/mol. Its IUPAC name is 2-[2-(methoxymethoxy)-1H-naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2-(methoxymethoxy)-1H-naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID142219388
Molecular FormulaC18H25BO4
Molecular Weight316.21 g/mol
Exact Mass316.18
IUPAC Name2-[2-(methoxymethoxy)-1H-naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCOC1(B2OC(C)(C)C(C)(C)O2)C=Cc2ccccc2C1
InChIInChI=1S/C18H25BO4/c1-16(2)17(3,4)23-19(22-16)18(21-13-20-5)11-10-14-8-6-7-9-15(14)12-18/h6-11H,12-13H2,1-5H3
InChIKeyOEOPOUFYJIXZAL-UHFFFAOYSA-N
XLogP3.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.25
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-(2-(1,3-Dioxolan-2-yl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 129321373
4,4,5,5-Tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 67968775
2-[4-(2-Methoxypropan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90202741
2-(3,4-dihydro-1H-2-benzopyran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 121004981
2-(3,4-dihydro-1H-2-benzopyran-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 124252501
2-(4-(Dimethoxymethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 56926968
2-[2-(Methoxymethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 68977685
2-[2-(Dimethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140707557
4,4,5,5-Tetramethyl-2-(4-methyl-2,2-diphenyl-1,3-dioxan-4-yl)-1,3,2-dioxaborolane
CID 141686666
2-{4-Fluoro-2-[(methoxymethoxy)methyl]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 24964500
2-[4-Fluoro-2-(methoxymethoxymethyl)phenyl]-4-phenyl-1,3,2-dioxaborolane
CID 59420258
2-[2-(1-Ethoxyethoxymethyl)-4-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 59420260

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethoxy)-1H-naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[2-(methoxymethoxy)-1H-naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 142219388) is 2-[2-(methoxymethoxy)-1H-naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2-(methoxymethoxy)-1H-naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2-(methoxymethoxy)-1H-naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COCOC1(B2OC(C)(C)C(C)(C)O2)C=Cc2ccccc2C1.
What is the InChIKey of 2-[2-(methoxymethoxy)-1H-naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is OEOPOUFYJIXZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BO4/c1-16(2)17(3,4)23-19(22-16)18(21-13-20-5)11-10-14-8-6-7-9-15(14)12-18/h6-11H,12-13H2,1-5H3.
What are the key properties of 2-[2-(methoxymethoxy)-1H-naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[2-(methoxymethoxy)-1H-naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 316.21 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethoxy)-1H-naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 142219388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).