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

C20H27BO3 — CID 174747907

IUPAC2-[2-(6-methoxynaphthalen-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1ccc2cc(C(C)CB3OC(C)(C)C(C)(C)O3)ccc2c1
InChIInChI=1S/C20H27BO3/c1-14(13-21-23-19(2,3)20(4,5)24-21)15-7-8-17-12-18(22-6)10-9-16(17)11-15/h7-12,14H,13H2,1-6H3
InChIKeyUWPVZBUUCZRAMH-UHFFFAOYSA-N
MW326.25 g/mol
LogP5.04
Rot. Bonds4

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

2-[2-(6-methoxynaphthalen-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 174747907) has the molecular formula C20H27BO3 and a molecular weight of 326.25 g/mol. Its IUPAC name is 2-[2-(6-methoxynaphthalen-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2-(6-methoxynaphthalen-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID174747907
Molecular FormulaC20H27BO3
Molecular Weight326.25 g/mol
Exact Mass326.21
IUPAC Name2-[2-(6-methoxynaphthalen-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1ccc2cc(C(C)CB3OC(C)(C)C(C)(C)O3)ccc2c1
InChIInChI=1S/C20H27BO3/c1-14(13-21-23-19(2,3)20(4,5)24-21)15-7-8-17-12-18(22-6)10-9-16(17)11-15/h7-12,14H,13H2,1-6H3
InChIKeyUWPVZBUUCZRAMH-UHFFFAOYSA-N
XLogP5.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.25
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(6-methoxynaphthalen-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-[1-(6-methoxynaphthalen-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 153315416
(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
4,4,5,5-tetramethyl-2-[(2S)-2-(3-methylphenyl)propyl]-1,3,2-dioxaborolane
CID 57416215
2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene
CID 54435579
N-ethyl-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 54856188
2-[2-(6-methoxynaphthalen-2-yl)propyl]thiophene
CID 67595197
N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308
4-[2-(6-methoxynaphthalen-2-yl)propyl]morpholine
CID 3055313
2-[(Z)-4-(6-methoxynaphthalen-2-yl)but-3-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177450927
4-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid
CID 177255800
[(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate
CID 141195522
4-(6-methoxynaphthalen-2-yl)pentanoic acid
CID 113306207

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methoxynaphthalen-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[2-(6-methoxynaphthalen-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 174747907) is 2-[2-(6-methoxynaphthalen-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2-(6-methoxynaphthalen-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2-(6-methoxynaphthalen-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COc1ccc2cc(C(C)CB3OC(C)(C)C(C)(C)O3)ccc2c1.
What is the InChIKey of 2-[2-(6-methoxynaphthalen-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is UWPVZBUUCZRAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BO3/c1-14(13-21-23-19(2,3)20(4,5)24-21)15-7-8-17-12-18(22-6)10-9-16(17)11-15/h7-12,14H,13H2,1-6H3.
What are the key properties of 2-[2-(6-methoxynaphthalen-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[2-(6-methoxynaphthalen-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 326.25 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methoxynaphthalen-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 174747907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).