2-(5-methoxythiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C11H17BO3S — CID 155819321

IUPAC2-(5-methoxythiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1cc(B2OC(C)(C)C(C)(C)O2)cs1
InChIInChI=1S/C11H17BO3S/c1-10(2)11(3,4)15-12(14-10)8-6-9(13-5)16-7-8/h6-7H,1-5H3
InChIKeyQEBBXDZMKGPIQF-UHFFFAOYSA-N
MW240.13 g/mol
LogP2.06
Rot. Bonds2

About 2-(5-methoxythiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(5-methoxythiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 155819321) has the molecular formula C11H17BO3S and a molecular weight of 240.13 g/mol. Its IUPAC name is 2-(5-methoxythiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(5-methoxythiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID155819321
Molecular FormulaC11H17BO3S
Molecular Weight240.13 g/mol
Exact Mass240.10
IUPAC Name2-(5-methoxythiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOc1cc(B2OC(C)(C)C(C)(C)O2)cs1
InChIInChI=1S/C11H17BO3S/c1-10(2)11(3,4)15-12(14-10)8-6-9(13-5)16-7-8/h6-7H,1-5H3
InChIKeyQEBBXDZMKGPIQF-UHFFFAOYSA-N
XLogP2.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-1,3,2-dioxaborolane
CID 56973254
2-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132508664
N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxamide
CID 140674111
2-(4-methoxy-3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11288475
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]morpholine
CID 130153349
3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 90102627
3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 11715768
2-(3-iodo-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 121004358
2-(4-bromo-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66915525
2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 2734650
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
benzyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate
CID 165115895

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxythiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(5-methoxythiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 155819321) is 2-(5-methoxythiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(5-methoxythiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(5-methoxythiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COc1cc(B2OC(C)(C)C(C)(C)O2)cs1.
What is the InChIKey of 2-(5-methoxythiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is QEBBXDZMKGPIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BO3S/c1-10(2)11(3,4)15-12(14-10)8-6-9(13-5)16-7-8/h6-7H,1-5H3.
What are the key properties of 2-(5-methoxythiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(5-methoxythiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 240.13 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxythiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 155819321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).