[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl] carbamate

C17H20BNO4 — CID 91484895

IUPAC[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl] carbamate
SMILESCC1(C)OB(c2ccc3cc(OC(N)=O)ccc3c2)OC1(C)C
InChIInChI=1S/C17H20BNO4/c1-16(2)17(3,4)23-18(22-16)13-7-5-12-10-14(21-15(19)20)8-6-11(12)9-13/h5-10H,1-4H3,(H2,19,20)
InChIKeyHALBMQRDOCQUCR-UHFFFAOYSA-N
MW313.16 g/mol
LogP2.60
Rot. Bonds2

About [6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl] carbamate

[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl] carbamate (PubChem CID 91484895) has the molecular formula C17H20BNO4 and a molecular weight of 313.16 g/mol. Its IUPAC name is [6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl] carbamate.

Molecular Properties

Compound Name[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl] carbamate
PubChem CID91484895
Molecular FormulaC17H20BNO4
Molecular Weight313.16 g/mol
Exact Mass313.15
IUPAC Name[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl] carbamate
SMILESCC1(C)OB(c2ccc3cc(OC(N)=O)ccc3c2)OC1(C)C
InChIInChI=1S/C17H20BNO4/c1-16(2)17(3,4)23-18(22-16)13-7-5-12-10-14(21-15(19)20)8-6-11(12)9-13/h5-10H,1-4H3,(H2,19,20)
InChIKeyHALBMQRDOCQUCR-UHFFFAOYSA-N
XLogP2.60
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl] carbamate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-2-carboxylate
CID 53217133
2-(6-cyclopropyloxynaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 131440071
[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazol-3-yl] carbamate
CID 174995749
CID 88941720
CID 88941720
benzyl 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]acetate
CID 58195019
2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 59023064
2-[2-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl carbamate
CID 145421053
1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]ethanone
CID 131530893
2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]acetamide
CID 66791461
ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzothiophene-2-carboxylate
CID 11522800
ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate
CID 21111505
2-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetamide
CID 155887529

Frequently Asked Questions

What is the IUPAC name of [6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl] carbamate?
The IUPAC name of [6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl] carbamate (CID 91484895) is [6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl] carbamate.
What is the SMILES notation for [6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl] carbamate?
The canonical SMILES for [6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl] carbamate is CC1(C)OB(c2ccc3cc(OC(N)=O)ccc3c2)OC1(C)C.
What is the InChIKey of [6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl] carbamate?
The InChIKey is HALBMQRDOCQUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BNO4/c1-16(2)17(3,4)23-18(22-16)13-7-5-12-10-14(21-15(19)20)8-6-11(12)9-13/h5-10H,1-4H3,(H2,19,20).
What are the key properties of [6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl] carbamate?
[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl] carbamate has a molecular weight of 313.16 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl] carbamate is sourced from PubChem (CID 91484895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).