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

C18H23BO4 — CID 139257428

IUPAC2-[2-(methoxymethoxy)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCOc1ccc2ccccc2c1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H23BO4/c1-17(2)18(3,4)23-19(22-17)16-14-9-7-6-8-13(14)10-11-15(16)21-12-20-5/h6-11H,12H2,1-5H3
InChIKeyUWJIPUCCCZMVRI-UHFFFAOYSA-N
MW314.19 g/mol
LogP3.12
Rot. Bonds4

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

2-[2-(methoxymethoxy)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 139257428) has the molecular formula C18H23BO4 and a molecular weight of 314.19 g/mol. Its IUPAC name is 2-[2-(methoxymethoxy)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2-(methoxymethoxy)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID139257428
Molecular FormulaC18H23BO4
Molecular Weight314.19 g/mol
Exact Mass314.17
IUPAC Name2-[2-(methoxymethoxy)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCOc1ccc2ccccc2c1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H23BO4/c1-17(2)18(3,4)23-19(22-17)16-14-9-7-6-8-13(14)10-11-15(16)21-12-20-5/h6-11H,12H2,1-5H3
InChIKeyUWJIPUCCCZMVRI-UHFFFAOYSA-N
XLogP3.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 53.12
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethoxy)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[2-(methoxymethoxy)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 139257428) is 2-[2-(methoxymethoxy)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2-(methoxymethoxy)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2-(methoxymethoxy)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COCOc1ccc2ccccc2c1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[2-(methoxymethoxy)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is UWJIPUCCCZMVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BO4/c1-17(2)18(3,4)23-19(22-17)16-14-9-7-6-8-13(14)10-11-15(16)21-12-20-5/h6-11H,12H2,1-5H3.
What are the key properties of 2-[2-(methoxymethoxy)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[2-(methoxymethoxy)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 314.19 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethoxy)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 139257428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).