2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane

C13H13BO2 — CID 11321807

IUPAC2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane
SMILESCc1ccc2ccccc2c1B1OCCO1
InChIInChI=1S/C13H13BO2/c1-10-6-7-11-4-2-3-5-12(11)13(10)14-15-8-9-16-14/h2-7H,8-9H2,1H3
InChIKeyADADEBXDDDEHCT-UHFFFAOYSA-N
MW212.06 g/mol
LogP1.89
Rot. Bonds1

About 2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane

2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane (PubChem CID 11321807) has the molecular formula C13H13BO2 and a molecular weight of 212.06 g/mol. Its IUPAC name is 2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane
PubChem CID11321807
Molecular FormulaC13H13BO2
Molecular Weight212.06 g/mol
Exact Mass212.10
IUPAC Name2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane
SMILESCc1ccc2ccccc2c1B1OCCO1
InChIInChI=1S/C13H13BO2/c1-10-6-7-11-4-2-3-5-12(11)13(10)14-15-8-9-16-14/h2-7H,8-9H2,1H3
InChIKeyADADEBXDDDEHCT-UHFFFAOYSA-N
XLogP1.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane
CID 22240186
2-[3-methyl-4-(2-methylnaphthalen-1-yl)naphthalen-1-yl]-1,3,2-dioxaborolane
CID 142690056
2-(4-methylnaphthalen-2-yl)-1,3,2-dioxaborolane
CID 160831518
2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene
CID 15355669
1,2-dimethylnaphthalene;ethane
CID 90922397
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
1,2-dimethylnaphthalene;hydrobromide
CID 174429192
1-tert-butyl-2-methylnaphthalene
CID 3019593
1-hydroxy-3H-benzo[g][2,1]benzoxaborole
CID 11846118
1,2-dimethylnaphthalene;ethane;propane
CID 90958253
1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-amine
CID 142543722
2-(8-methylnaphthalen-1-yl)-1,3,2-dioxaborolane
CID 172750992

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane (CID 11321807) is 2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane is Cc1ccc2ccccc2c1B1OCCO1.
What is the InChIKey of 2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane?
The InChIKey is ADADEBXDDDEHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BO2/c1-10-6-7-11-4-2-3-5-12(11)13(10)14-15-8-9-16-14/h2-7H,8-9H2,1H3.
What are the key properties of 2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane?
2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane has a molecular weight of 212.06 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylnaphthalen-1-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 11321807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).